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CHEBI:137987 - 19-hydroxyprostaglandin I2(1−)

Default Structure
ChEBI IDCHEBI:137987
ChEBI Name19-hydroxyprostaglandin I2(1−)
Stars
ASCII Name19-hydroxyprostaglandin I2(1-)
DefinitionA prostaglandin carboxylic acid anion that is the conjugate base of 19-hydroxyprostaglandin I2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 October 2017
Submitterlaimo
DownloadsMolfile
FormulaC20H31O6
Net Charge-1
Average Mass367.462
Monoisotopic Mass367.21261
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)/p-1/b10-9+,15-7-/t13?,14-,16+,17+,18+,19-/m0/s1
InChIKeyPGRXDTJFXIPRSO-QAQUDUTNSA-M
ChEBI Ontology
Outgoing Relation(s)
19-hydroxyprostaglandin I2(1−) (CHEBI:137987) has functional parent prostaglandin I2(1−) (CHEBI:57403)
19-hydroxyprostaglandin I2(1−) (CHEBI:137987) is a prostaglandin carboxylic acid anion (CHEBI:59326)
19-hydroxyprostaglandin I2(1−) (CHEBI:137987) is conjugate base of 19-hydroxyprostaglandin I2 (CHEBI:138582)
Incoming Relation(s)
19-hydroxyprostaglandin I2 (CHEBI:138582) is conjugate acid of 19-hydroxyprostaglandin I2(1−) (CHEBI:137987)
IUPAC Name 
(5Z,13E,15S)-11α,15,19-trihydroxy-6,9α-epoxyprosta-5,13-dien-1-oate
Synonyms  Source
19-hydroxy-PGI2(1−)SUBMITTER
(5Z,9α,11α,13E,15S)-11,15,19-trihydroxy-6,9-epoxyprosta-5,13-dien-1-oateIUPAC
UniProt Name  Source
19-hydroxy-prostaglandin I2UniProt
Citations