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CHEBI:134511 - prostaglandin B3

ChEBI IDCHEBI:134511
ChEBI Nameprostaglandin B3
Stars
ASCII Nameprostaglandin B3
DefinitionA member of the class of prostaglandins A that is prosta-5,8(12),13,17-tetraen-1-oic acid carrying oxo and hydsroxy substituents at positions 9 and 15 respectively (the 5Z,13E,15S,17Z-stereoisomer).
Last Modified13 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC/C=C\C[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)C(=O)CC1
InChIInChI=1S/C20H28O4/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/h3-4,6-7,12,14,17,21H,2,5,8-11,13,15H2,1H3,(H,23,24)/b6-3-,7-4-,14-12+/t17-/m0/s1
InChIKeyDQRGQQAJYRBDRP-UNBCGXALSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (:7311739)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
prostaglandin B3 (CHEBI:134511) has role rat metabolite (CHEBI:86264)
prostaglandin B3 (CHEBI:134511) has role xenobiotic metabolite (CHEBI:76206)
prostaglandin B3 (CHEBI:134511) is a prostaglandins B (CHEBI:26335)
prostaglandin B3 (CHEBI:134511) is a secondary alcohol (CHEBI:35681)
prostaglandin B3 (CHEBI:134511) is conjugate acid of prostaglandin B3(1−) (CHEBI:133425)
Incoming Relation(s)
prostaglandin B3(1−) (CHEBI:133425) is conjugate base of prostaglandin B3 (CHEBI:134511)
IUPAC Name 
(5Z,13E,15S,17Z)-15-hydroxy-9-oxoprosta-5,8(12),13,17-tetraen-1-oic acid
Synonym  Source
PGB3ChEBI
Registry NumbersSources
Reaxys:8941035Reaxys
Citations