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CHEBI:27647 - prostaglandin G2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name prostaglandin G2
ChEBI ID CHEBI:27647
ChEBI ASCII Name prostaglandin G2
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26329, CHEBI:44869, CHEBI:8519
Supplier Information
Save molfile Download Molfile
Formula C20H32O6
Net Charge 0
Average Mass 368.46448
Monoisotopic Mass 368.220
InChI InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey SGUKUZOVHSFKPH-YNNPMVKQSA-N
SMILES CCCCC[C@H](OO)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing prostaglandin G2 (CHEBI:27647) has role human metabolite (CHEBI:77746)
prostaglandin G2 (CHEBI:27647) has role mouse metabolite (CHEBI:75771)
prostaglandin G2 (CHEBI:27647) is a prostaglandins G (CHEBI:26343)
prostaglandin G2 (CHEBI:27647) is conjugate acid of prostaglandin G2(1−) (CHEBI:82629)
Incoming prostaglandin G2 2-glyceryl ester (CHEBI:85165) has functional parent prostaglandin G2 (CHEBI:27647)
prostaglandin G2(1−) (CHEBI:82629) is conjugate base of prostaglandin G2 (CHEBI:27647)
IUPAC Names
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
(5Z,9S,11R,13E,15S)-15-hydroperoxy-9,11-epidioxyprosta-5,13-dien-1-oic acid
Synonyms Sources
PGG2 KEGG COMPOUND
Prostaglandin G2 KEGG COMPOUND
Database Links Databases
C05956 KEGG COMPOUND
DB03866 DrugBank
LMFA03010009 LIPID MAPS
View more database links
Registry Number Type Source
51982-36-6 CAS Registry Number ChemIDplus
Last Modified
27 January 2016