EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:15556 - 15-dehydro-prostaglandin I2

ChEBI IDCHEBI:15556
ChEBI Name15-dehydro-prostaglandin I2
Stars
ASCII Name15-dehydro-prostaglandin I2
Secondary ChEBI IDsCHEBI:248, CHEBI:10918, CHEBI:18591
Last Modified3 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILES[H][C@]12C[C@@H](O)[C@H](/C=C/C(=O)CCCCC)[C@@]1([H])C/C(=C/CCCC(=O)O)O2
InChIInChI=1S/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,16-19,22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t16-,17-,18-,19+/m1/s1
InChIKeyYCLHGWBUIYKBPM-ABXKVQRYSA-N
ChEBI Ontology
Outgoing Relation(s)
15-dehydro-prostaglandin I2 (CHEBI:15556) has functional parent prostaglandin I2 (CHEBI:15552)
15-dehydro-prostaglandin I2 (CHEBI:15556) is a prostaglandins I (CHEBI:26345)
15-dehydro-prostaglandin I2 (CHEBI:15556) is conjugate acid of 15-dehydro-prostaglandin I2(1−) (CHEBI:57407)
Incoming Relation(s)
15-dehydro-prostaglandin I2(1−) (CHEBI:57407) is conjugate base of 15-dehydro-prostaglandin I2 (CHEBI:15556)
IUPAC Name 
(5Z,13E)-6,9α-epoxy-11α-hydroxy-15-oxoprosta-5,13-dienoic acid
Synonyms  Source
(5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoateKEGG COMPOUND
15-keto PGI2ChEBI
15-Ketoprostaglandin I2ChemIDplus
15-Keto-pgi2ChemIDplus
15-deoxy-15-oxo-prostaglandin I2ChEBI
Manual XrefsDatabases
C04835KEGG COMPOUND
Registry NumbersSources
CAS:100311-07-7ChemIDplus