CHEBI:90801 - 19-hydroxyprostaglandin H1(1−)

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ChEBI Name 19-hydroxyprostaglandin H1(1−)
ChEBI ID CHEBI:90801
ChEBI ASCII Name 19-hydroxyprostaglandin H1(1-)
Definition A prostaglandin carboxylic acid anion that is the conjugate base of 19-hydroxyprostaglandin H1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C20H33O6
Net Charge -1
Average Mass 369.473
Monoisotopic Mass 369.22826
InChI InChI=1S/C20H34O6/c1-14(21)7-6-8-15(22)11-12-17-16(18-13-19(17)26-25-18)9-4-2-3-5-10-20(23)24/h11-12,14-19,21-22H,2-10,13H2,1H3,(H,23,24)/p-1/b12-11+/t14?,15-,16+,17+,18-,19+/m0/s1
InChIKey WIWFIKCSWKFLRM-UZTSRZBGSA-M
SMILES C1[C@H]2[C@@H]([C@H]([C@@H]1OO2)/C=C/[C@H](CCCC(C)O)O)CCCCCCC([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing 19-hydroxyprostaglandin H1(1−) (CHEBI:90801) has role human xenobiotic metabolite (CHEBI:76967)
19-hydroxyprostaglandin H1(1−) (CHEBI:90801) is a oxylipin anion (CHEBI:62933)
19-hydroxyprostaglandin H1(1−) (CHEBI:90801) is a prostaglandin carboxylic acid anion (CHEBI:59326)
19-hydroxyprostaglandin H1(1−) (CHEBI:90801) is conjugate base of 19-hydroxyprostaglandin H1 (CHEBI:91135)
Incoming 19-hydroxyprostaglandin H1 (CHEBI:91135) is conjugate acid of 19-hydroxyprostaglandin H1(1−) (CHEBI:90801)
IUPAC Name
7-{(1R,4S,5R,6R)-6-[(1E,3S)-3,7-dihydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoate
Synonym Source
19-hydroxyprostaglandin H1 UniProt
Citation Waiting for Citations Type Source
10791960 PubMed citation SUBMITTER
Last Modified
12 August 2016