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CHEBI:28099 - prostaglandin B2

ChEBI IDCHEBI:28099
ChEBI Nameprostaglandin B2
Stars
ASCII Nameprostaglandin B2
Secondary ChEBI IDsCHEBI:8507, CHEBI:26317, CHEBI:42246
Last Modified12 March 2018
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCCCCC[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)C(=O)CC1
InChIInChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1
InChIKeyPRFXRIUZNKLRHM-HKVRTXJWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
prostaglandin B2 (CHEBI:28099) has role human metabolite (CHEBI:77746)
prostaglandin B2 (CHEBI:28099) is a prostaglandins B (CHEBI:26335)
prostaglandin B2 (CHEBI:28099) is conjugate acid of prostaglandin B2(1−) (CHEBI:133391)
Incoming Relation(s)
prostaglandin B2(1−) (CHEBI:133391) is conjugate base of prostaglandin B2 (CHEBI:28099)
IUPAC Name 
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid
Synonyms  Source
Prostaglandin B2KEGG COMPOUND
PGB2KEGG COMPOUND
(5Z,13E,15R)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acidPDBeChem
Manual XrefsDatabases
C05954KEGG COMPOUND
LMFA03010018LIPID MAPS
E2PPDBeChem
DB02304DrugBank
Registry NumbersSources
Reaxys:2153006Reaxys
CAS:13367-85-6ChemIDplus
CAS:13367-85-6KEGG COMPOUND