prostaglandin I2 (CHEBI:15552)

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CHEBI:15552 - prostaglandin I₂

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ChEBI ID	CHEBI:15552
ChEBI Name	prostaglandin I₂
Stars
ASCII Name	prostaglandin I2
Secondary ChEBI IDs	CHEBI:245, CHEBI:10912, CHEBI:26331
Last Modified	2 October 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C20H32O5
Net Charge	0
Average Mass	352.471
Monoisotopic Mass	352.22497
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
InChI	InChI=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
InChIKey	KAQKFAOMNZTLHT-OZUDYXHBSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Biological Role:

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	prostaglandin I₂ (CHEBI:15552) has role mouse metabolite (CHEBI:75771)
	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 acid	ChemIDplus
(5Z,13E)-(15S)-6,9alpha-Epoxy-11alpha,15-dihydroxyprosta-5,13-dienoate	KEGG COMPOUND
(5Z,13E)-(15S)-6,9alpha-Epoxy-11alpha,15-dihydroxyprosta-5,13-dienoate	KEGG COMPOUND
Epoprostenol	KEGG COMPOUND
Flolan	ChemIDplus
PGI2	KEGG COMPOUND

Manual Xrefs	Databases
1034	DrugCentral
C01312	KEGG COMPOUND
D00106	KEGG DRUG
DB01240	DrugBank
LMFA03010087	LIPID MAPS

Registry Numbers	Sources
Beilstein:1690090	Beilstein
CAS:35121-78-9	KEGG COMPOUND
CAS:35121-78-9	ChemIDplus