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CHEBI:230114 - MG(5-iso PGF2VI/0:0/0:0)

Default Structure
ChEBI IDCHEBI:230114
ChEBI NameMG(5-iso PGF2VI/0:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O7
Net Charge0
Average Mass400.512
Monoisotopic Mass400.24610
SMILESCCCCC[C@@H](O)/C=C/[C@@H]1[C@H](C/C=C\CC(=O)OC[C@@H](O)CO)[C@@H](O)C[C@H]1O
InChIInChI=1S/C21H36O7/c1-2-3-4-7-15(23)10-11-18-17(19(25)12-20(18)26)8-5-6-9-21(27)28-14-16(24)13-22/h5-6,10-11,15-20,22-26H,2-4,7-9,12-14H2,1H3/b6-5-,11-10+/t15-,16+,17+,18-,19+,20-/m1/s1
InChIKeyCVLKNXFZQALKRK-JHLMESGYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
MG(5-iso PGF2VI/0:0/0:0) (CHEBI:230114) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2S)-2,3-dihydroxypropyl] (Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoate
Manual XrefsDatabases
117217000ChemSpider
HMDB0260485HMDB