Brightway Flows 1.0
GitHub

Taurine

fo-2dc4a07e6570ffdf

Identity

Type
Neutral molecule
CAS
107-35-7
EC
203-483-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Taurine

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XOAAWQZATWQOTB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
IUPAC name chemrof:IUPAC_name Taurine
Molecular formula chemrof:molecular_formula C2H7NO3S
Molecular mass chemrof:molecular_mass 125.149
Monoisotopic mass chemrof:monoisotopic_mass 125.01466, 125.014664
SMILES string chemrof:smiles_string NCCS(=O)(=O)O

Known URLs

81

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=107-35-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15891 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.168 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021304 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01956 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01956 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4486 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4486 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=32428 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759150 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL239243 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/taurine enrich_references.pubchem_identifier_url
gmelin gmelin:82121 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1EQV5MLY3D enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000251 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.056C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00245 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00047 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00245 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00047 enrich_references.pubchem_identifier_url
knapsack knapsack:C00048188 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37162 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=TAURINE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61962 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:TAU enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL239243 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1123 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018784 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10098958 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10325611 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10349454 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10827156 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11162030 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11842876 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11918831 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11931837 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12297216 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12499349 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12834252 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14992292 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15503229 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15780050 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15911239 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16169526 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16444816 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16923232 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17053427 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17081118 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17875433 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17997039 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18060526 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18171928 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19074966 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19212411 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19309105 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19940987 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2122710 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21761941 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22770225 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2370482 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24027187 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2494044 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27291853 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27334436 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27345710 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27380030 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27412799 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27471162 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27535560 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3106924 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3393260 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6198473 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7588651 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8692051 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8818047 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9635063 enrich_references.chebi_xrefs
reaxys reaxys:1751215 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/10337 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q106345481 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q207051 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Taurine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e7869a8c-b53b-4ce0-973e-f7600408544d Environmental → Air → Aircraft cruise height EF 3.1 kg 0
b06f6c25-dd65-40bc-9dd4-72cd9b93de3a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
ef962bb1-d9a2-486f-9201-1208b1603e5f Environmental → Air → Indoor EF 3.1 kg 0
c51e54cb-c752-4cd5-bb3f-eea01d883872 Environmental → Air → Long-term EF 3.1 kg 0
ba1696a2-b771-4dc3-9f83-4856e3453fc9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
26aac438-902a-40e4-b4c3-017f56be1c3f Environmental → Air → Unknown EF 3.1 kg 0
bd709fa6-b756-4b94-a51b-8d1d1b4db69f Environmental → Ground → Agricultural EF 3.1 kg 0
a0eeac95-c344-4d98-8d1b-195c879ab9ff Environmental → Ground → Non-agricultural EF 3.1 kg 0
4b45dbcb-f65d-46c5-81f8-d257e460c99e Environmental → Ground → Unknown EF 3.1 kg 0
2cabfa80-596a-4c43-96fe-c4d70365db5f Environmental → Water → Long-term EF 3.1 kg 0
11294772-ff46-477f-9c45-36b623cfe56d Environmental → Water → Ocean EF 3.1 kg 0
70a103b2-7c68-4c39-87c4-f3f4db533457 Environmental → Water → Surface water EF 3.1 kg 0
10c66808-1f4e-423f-8a5c-ca84ce43038d Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2dc4a07e6570ffdf",
  "prefLabel": [
    {
      "@value": "Taurine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Aminoethane-2-sulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Aminoethane-1-sulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-aminoethanesulfonic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2-aminoethyl sulfonate",
      "@language": "en",
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      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_15891"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Aminoethylsulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "CAS:107-35-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Azaniumylethanesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Sulfoethylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aminoethylsulfonic acid",
      "@language": "en",
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      "provenance": {
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15891"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "beta-aminoethylsulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_15891"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ethanesulfonic acid, 2-amino-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D013654",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-35-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O-Due",
      "@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=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Taufon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-35-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Taukard",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-35-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tauphon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107-35-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tauramin",
      "@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=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Aminoethylsulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107-35-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C2H7NO3S"
      ],
      "attested_by": {
        "C2H7NO3S": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
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      "rdfs:label": "SMILES",
      "@value": [
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      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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        },
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)"
      ],
      "provenance": [
        {
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        },
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)": [
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "XOAAWQZATWQOTB-UHFFFAOYSA-N"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
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