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CHEBI:138582 - 19-hydroxyprostaglandin I2

ChEBI IDCHEBI:138582
ChEBI Name19-hydroxyprostaglandin I2
Stars
ASCII Name19-hydroxyprostaglandin I2
DefinitionA prostaglandin I that consists of prostaglandin I1 carrying an additional hydroxy substituent at position 19.
Last Modified2 October 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILES[H][C@]12C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCC(C)O)[C@@]1([H])C/C(=C/CCCC(=O)O)O2
InChIInChI=1S/C20H32O6/c1-13(21)5-4-6-14(22)9-10-16-17-11-15(7-2-3-8-20(24)25)26-19(17)12-18(16)23/h7,9-10,13-14,16-19,21-23H,2-6,8,11-12H2,1H3,(H,24,25)/b10-9+,15-7-/t13?,14-,16+,17+,18+,19-/m0/s1
InChIKeyPGRXDTJFXIPRSO-QAQUDUTNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (15789615)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
19-hydroxyprostaglandin I2 (CHEBI:138582) has functional parent prostaglandin I2 (CHEBI:15552)
19-hydroxyprostaglandin I2 (CHEBI:138582) has role human xenobiotic metabolite (CHEBI:76967)
19-hydroxyprostaglandin I2 (CHEBI:138582) is a hydroxy monocarboxylic acid (CHEBI:35868)
19-hydroxyprostaglandin I2 (CHEBI:138582) is a prostaglandins I (CHEBI:26345)
19-hydroxyprostaglandin I2 (CHEBI:138582) is a secondary allylic alcohol (CHEBI:134396)
19-hydroxyprostaglandin I2 (CHEBI:138582) is a triol (CHEBI:27136)
19-hydroxyprostaglandin I2 (CHEBI:138582) is conjugate acid of 19-hydroxyprostaglandin I2(1−) (CHEBI:137987)
Incoming Relation(s)
19-hydroxyprostaglandin I2(1−) (CHEBI:137987) is conjugate base of 19-hydroxyprostaglandin I2 (CHEBI:138582)
IUPAC Name 
(5Z,13E,15S)-11α,15,19-trihydroxy-6,9α-epoxyprosta-5,13-dien-1-oic acid
Synonyms  Source
19-hydroxy-PGI2ChEBI
(5Z,9α,11α,13E,15S)-11,15,19-trihydroxy-6,9-epoxyprosta-5,13-dien-1-oic acidIUPAC
Citations