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CHEBI:15552 - prostaglandin I2

Default Structure
ChEBI IDCHEBI:15552
ChEBI Nameprostaglandin I2
Stars
ASCII Nameprostaglandin I2
Secondary ChEBI IDsCHEBI:245, CHEBI:10912, CHEBI:26331
Last Modified2 October 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILES[H][C@]12C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@@]1([H])C/C(=C/CCCC(=O)O)O2
InChIInChI=1S/C20H32O5/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/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1
InChIKeyKAQKFAOMNZTLHT-OZUDYXHBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
antiviral agent  A substance that destroys or inhibits replication of viruses.
Applications:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
prostaglandin I2 (CHEBI:15552) has role anticoagulant (CHEBI:50249)
prostaglandin I2 (CHEBI:15552) has role antihypertensive agent (CHEBI:35674)
prostaglandin I2 (CHEBI:15552) has role antiviral agent (CHEBI:22587)
prostaglandin I2 (CHEBI:15552) has role mouse metabolite (CHEBI:75771)
prostaglandin I2 (CHEBI:15552) has role neuroprotective agent (CHEBI:63726)
prostaglandin I2 (CHEBI:15552) is a prostaglandins I (CHEBI:26345)
prostaglandin I2 (CHEBI:15552) is conjugate acid of prostaglandin I2(1−) (CHEBI:57403)
Incoming Relation(s)
15-dehydro-prostaglandin I2 (CHEBI:15556) has functional parent prostaglandin I2 (CHEBI:15552)
19-hydroxyprostaglandin I2 (CHEBI:138582) has functional parent prostaglandin I2 (CHEBI:15552)
prostaglandin I2 2-glyceryl ester (CHEBI:137176) has functional parent prostaglandin I2 (CHEBI:15552)
prostaglandin I2(1−) (CHEBI:57403) is conjugate base of prostaglandin I2 (CHEBI:15552)
IUPAC Name 
(5Z,13E,15S)-6,9α-epoxy-11α,15-dihydroxyprosta-5,13-dienoic acid
Synonyms  Source
(5Z,9α,11α,13E,15S)-6,9-epoxy-11,15-dihydroxyprosta-5,13-dien-1-oic acidChemIDplus
(5Z,13E)-(15S)-6,9alpha-Epoxy-11alpha,15-dihydroxyprosta-5,13-dienoateKEGG COMPOUND
(5Z,13E)-(15S)-6,9alpha-Epoxy-11alpha,15-dihydroxyprosta-5,13-dienoateKEGG COMPOUND
ACT-385781AChEMBL
epoprostenolChEMBL
EpoprostenolKEGG COMPOUND
Manual XrefsDatabases
1034DrugCentral
C01312KEGG COMPOUND
D00106KEGG DRUG
DB01240DrugBank
LMFA03010087LIPID MAPS
Registry NumbersSources
Beilstein:1690090Beilstein
CAS:35121-78-9KEGG COMPOUND
CAS:35121-78-9ChemIDplus
Citations