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CHEBI:90797 - 19-hydroxyprostaglandin H2(1−)

ChEBI IDCHEBI:90797
ChEBI Name19-hydroxyprostaglandin H2(1−)
Stars
ASCII Name19-hydroxyprostaglandin H2(1-)
DefinitionA prostaglandin carboxylic acid anion that is the conjugate base of 19-hydroxyprostaglandin H2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 August 2016
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC20H31O6
Net Charge-1
Average Mass367.462
Monoisotopic Mass367.21261
SMILESCC(O)CCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H]2C[C@H]1OO2
InChIInChI=1S/C20H32O6/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/h2,4,11-12,14-19,21-22H,3,5-10,13H2,1H3,(H,23,24)/p-1/b4-2-,12-11+/t14?,15-,16+,17+,18-,19+/m0/s1
InChIKeyMTVPUJQVDLAVML-AHYYGCRPSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (10791960)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
19-hydroxyprostaglandin H2(1−) (CHEBI:90797) has role human xenobiotic metabolite (CHEBI:76967)
19-hydroxyprostaglandin H2(1−) (CHEBI:90797) is a oxylipin anion (CHEBI:62933)
19-hydroxyprostaglandin H2(1−) (CHEBI:90797) is a prostaglandin carboxylic acid anion (CHEBI:59326)
19-hydroxyprostaglandin H2(1−) (CHEBI:90797) is conjugate base of 19-hydroxyprostaglandin H2 (CHEBI:63912)
Incoming Relation(s)
19-hydroxyprostaglandin H2 (CHEBI:63912) is conjugate acid of 19-hydroxyprostaglandin H2(1−) (CHEBI:90797)
IUPAC Name 
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3,7-dihydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoate
UniProt Name  Source
19-hydroxyprostaglandin H2UniProt
Citations