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CHEBI:27647 - prostaglandin G2

ChEBI IDCHEBI:27647
ChEBI Nameprostaglandin G2
Stars
ASCII Nameprostaglandin G2
Secondary ChEBI IDsCHEBI:8519, CHEBI:26329, CHEBI:44869
Last Modified20 October 2017
DownloadsMolfile

FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILESCCCCC[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2C[C@H]1OO2)OO
InChIInChI=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
InChIKeySGUKUZOVHSFKPH-YNNPMVKQSA-N

Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
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  Source
Prostaglandin G2KEGG COMPOUND
PGG2KEGG COMPOUND
Manual XrefsDatabases
C05956KEGG COMPOUND
LMFA03010009LIPID MAPS
DB03866DrugBank
Registry NumbersSources
CAS:51982-36-6ChemIDplus
CAS:51982-36-6KEGG COMPOUND