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(trimethylammonio)acetate

fo-24f5b5861772abe1

Identity

Type
Zwitterion
CAS
107-43-7
EC
203-490-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (trimethylammonio)acetate

Alternative labels

46

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KWIUHFFTVRNATP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
IUPAC name chemrof:IUPAC_name (trimethylammonio)acetate
Molecular formula chemrof:molecular_formula C5H11NO2
Molecular mass chemrof:molecular_mass 117.148
Monoisotopic mass chemrof:monoisotopic_mass 117.078979, 117.07898
SMILES string chemrof:smiles_string C[N+](C)(C)CC(=O)[O-]

Known URLs

38

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=107-43-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17750 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.174 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8022666 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB06756 enrich_references.pubchem_identifier_url
drugcentral drugcentral:347 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/347 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=166511 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1182 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/betaine enrich_references.pubchem_identifier_url
gmelin gmelin:26434 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3SCV180C9W enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000043 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.058J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00719 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D07523 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00719 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D07523 enrich_references.pubchem_identifier_url
knapsack knapsack:C00007291 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37042 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=BETAINE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C81038 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:BET enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA448603 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1182 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/247 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=628393 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16197300 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18326594 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20346934 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20446114 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20642826 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22770225 enrich_references.chebi_xrefs
reaxys reaxys:3537113 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1512 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q10860583 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Trimethylglycine enrich_references.chebi_xrefs
ymdb ymdb:YMDB01516 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
1df0621c-1684-45a3-ad0c-23ef68f75545 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
06301464-41b9-43ff-957f-b76d913e1254 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0022939b-55ad-4332-9e00-9d4b7266f0ea Environmental → Air → Indoor EF 3.1 kg 2
76c47b5f-f2d4-4e9a-b5ea-ed2edd5aa53d Environmental → Air → Long-term EF 3.1 kg 0
c9fab2a3-74e0-45c1-9fb9-0e630cfda566 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
13e25d30-793f-4d54-8777-9a49d68016e8 Environmental → Air → Unknown EF 3.1 kg 2
e81674ee-e55b-4388-942f-5c8e3341056e Environmental → Ground → Agricultural EF 3.1 kg 2
e89d7d19-3c65-4eea-abd4-d6932f08ba73 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8a40f079-fabc-425f-91ed-c97bbd5ffd8e Environmental → Ground → Unknown EF 3.1 kg 2
79b23c80-4eef-440f-a36f-f58337c1786f Environmental → Water → Long-term EF 3.1 kg 0
406fd53e-d704-4877-b9f8-8ed0f20e4cad Environmental → Water → Ocean EF 3.1 kg 2
5f4e61e8-7eed-4764-9984-f62ae31d4eea Environmental → Water → Surface water EF 3.1 kg 2
e79d3f36-6f55-4e20-ad69-c8cc56d10ffb Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-24f5b5861772abe1",
  "prefLabel": [
    {
      "@value": "(trimethylammonio)acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(Carboxymethyl)trimethylammonium hydroxide inner salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(trimethylammoniumyl)acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_17750"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-carboxy-N,N,N-trimethylmethanaminium inner salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_17750"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-(Trimethylazaniumyl)acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-N,N,N-trimethylammonio acetate",
      "@language": "en",
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      "provenance": {
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    },
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      "@value": "abromine",
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    },
    {
      "@value": "acidol",
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    },
    {
      "@value": "Agro FKC 540 K",
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      }
    },
    {
      "@value": "Agro FKC 540K",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aminocoat",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ammonium compounds, substituted, (carboxymethyl)trimethyl-, hydroxide, inner salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aquadew AN 100",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Auqadew AN 100",
      "@language": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bet",
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          "http://purl.obolibrary.org/obo/CHEBI_17750"
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Betafin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Betafin BCR",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Betafin BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Betafin BP 20",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Betaine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_17750"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Bluestim",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cystadane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fencaijian",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "FinnStim",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Genecare OSMS BA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Genencare OSMS BA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Genencare OSMS Pro",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycine betaine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_17750"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Glycine, trimethylbetaine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycocoll betaine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycylbetaine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Greenstim",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Loramine AMB 13",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lycine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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