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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:28099 - prostaglandin B
2
Main
ChEBI Ontology
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ChEBI Name
prostaglandin B
2
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
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Molfile
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Molfile
Molfile
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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 B
2
(
CHEBI:28099
)
has role
human metabolite (
CHEBI:77746
)
prostaglandin B
2
(
CHEBI:28099
)
is a
prostaglandins B (
CHEBI:26335
)
prostaglandin B
2
(
CHEBI:28099
)
is conjugate acid of
prostaglandin B
2
(1−) (
CHEBI:133391
)
Incoming
prostaglandin B
2
(1−) (
CHEBI:133391
)
is conjugate base of
prostaglandin B
2
(
CHEBI:28099
)
IUPAC Name
(5
Z
,13
E
,15
S
)-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