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CHEBI:27624 - prostaglandin B1

Default Structure
ChEBI IDCHEBI:27624
ChEBI Nameprostaglandin B1
Stars
ASCII Nameprostaglandin B1
DefinitionA member of the class of prostaglandins B that is prosta-8(12),13-dien-1-oic acid carrying oxo and hydroxy substituents at positions 9 and 15 respectively (the 13E,15S-stereoisomer).
Secondary ChEBI IDsCHEBI:8506, CHEBI:26316
Last Modified10 February 2017
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCC[C@H](O)/C=C/C1=C(CCCCCCC(=O)O)C(=O)CC1
InChIInChI=1S/C20H32O4/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/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1
InChIKeyYBHMPNRDOVPQIN-VSOYFRJCSA-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 B1 (CHEBI:27624) has role human metabolite (CHEBI:77746)
prostaglandin B1 (CHEBI:27624) is a prostaglandins B (CHEBI:26335)
prostaglandin B1 (CHEBI:27624) is conjugate acid of prostaglandin B1(1−) (CHEBI:133393)
Incoming Relation(s)
prostaglandin B1(1−) (CHEBI:133393) is conjugate base of prostaglandin B1 (CHEBI:27624)
IUPAC Name 
(13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oic acid
Synonyms  Source
PGB1ChemIDplus
PGB1KEGG COMPOUND
Prostaglandin B1KEGG COMPOUND
Manual XrefsDatabases
C00959KEGG COMPOUND
LMFA03010131LIPID MAPS
Registry NumbersSources
CAS:13345-51-2KEGG COMPOUND
CAS:13345-51-2ChemIDplus