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Diglycolic acid

fo-fccf670edbd8ffa0

Identity

Type
Neutral molecule
CAS
110-99-6
EC
203-823-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Diglycolic acid

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QEVGZEDELICMKH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
IUPAC name chemrof:IUPAC_name Diglycolic acid
Molecular formula chemrof:molecular_formula C4H6O5
Molecular mass chemrof:molecular_mass 134.087
Monoisotopic mass chemrof:monoisotopic_mass 134.02152, 134.021523
SMILES string chemrof:smiles_string O=C(O)COCC(=O)O

Known URLs

14

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=110-99-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:169983 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.476 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.7797.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4041575 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8651 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1234950 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S4651635E0 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251283 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.721G enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:OEG enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8088 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q5276305 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Diglycolic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b63992af-843e-48fa-a9f4-69c64cbdb38c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
41d94729-cba7-44b1-a309-d94722e3dfef Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
80dbf35d-d52e-4eb9-8c1b-3799fcf51646 Environmental → Air → Indoor EF 3.1 kg 2
99e543d4-5606-460d-bbc1-88b86eb36077 Environmental → Air → Long-term EF 3.1 kg 0
80c61212-2d5b-48ae-ac98-8dbd1cc16c29 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
555eeff2-f045-44e5-9291-98990fbd4888 Environmental → Air → Unknown EF 3.1 kg 2
55e90a77-9828-4707-bc15-8656f91ac839 Environmental → Ground → Agricultural EF 3.1 kg 2
2c427942-436d-47e1-9605-196d5316c747 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6e5905f2-6a5d-4027-a003-474de7bb185a Environmental → Ground → Unknown EF 3.1 kg 2
aae8d6a1-e8fe-4ebc-9dfb-de0075dc7d79 Environmental → Water → Long-term EF 3.1 kg 0
d742a9d4-d6d1-4b38-9d92-bab5b110580f Environmental → Water → Ocean EF 3.1 kg 2
24d83fcf-bd15-4e46-a1b2-e258e894bd52 Environmental → Water → Surface water EF 3.1 kg 2
f68a05a6-1b53-4d2b-8e2c-d3051ff63857 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-fccf670edbd8ffa0",
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  ],
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    },
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    },
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}

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