CHEBI:15556 - 15-dehydro-prostaglandin I2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 15-dehydro-prostaglandin I2
ChEBI ID CHEBI:15556
ChEBI ASCII Name 15-dehydro-prostaglandin I2
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10918, CHEBI:248, CHEBI:18591
Supplier Information ChemicalBook:CB3746093, eMolecules:496404, eMolecules:1971016, eMolecules:7351983, ZINC000000895210
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Formula C20H30O5
Net Charge 0
Average Mass 350.44920
Monoisotopic Mass 350.20932
InChI InChI=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
InChIKey YCLHGWBUIYKBPM-ABXKVQRYSA-N
SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\C(=O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O
ChEBI Ontology
Outgoing 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 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 Sources
(5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate KEGG COMPOUND
15-deoxy-15-oxo-prostaglandin I2 ChEBI
15-keto PGI2 ChEBI
15-Keto-pgi2 ChemIDplus
15-Ketoprostaglandin I2 ChemIDplus
Manual Xref Database
C04835 KEGG COMPOUND
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Registry Number Type Source
100311-07-7 CAS Registry Number ChemIDplus
Last Modified
04 August 2014