CHEBI:28099 - prostaglandin B2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name prostaglandin B2
ChEBI ID CHEBI:28099
ChEBI ASCII Name prostaglandin B2
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26317, CHEBI:42246, CHEBI:8507
Supplier Information ChemicalBook:CB4154419, eMolecules:531171, ZINC000004521814
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Formula C20H30O4
Net Charge 0
Average Mass 334.44980
Monoisotopic Mass 334.21441
InChI InChI=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
InChIKey PRFXRIUZNKLRHM-HKVRTXJWSA-N
SMILES CCCCC[C@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(5Z,13E,15R)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid PDBeChem
PGB2 KEGG COMPOUND
Prostaglandin B2 KEGG COMPOUND
Manual Xrefs Databases
C05954 KEGG COMPOUND
DB02304 DrugBank
E2P PDBeChem
LMFA03010018 LIPID MAPS
View more database links
Registry Numbers Types Sources
13367-85-6 CAS Registry Number ChemIDplus
2153006 Reaxys Registry Number Reaxys
Last Modified
12 March 2018