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CHEBI:230085 - PG(a-15:0/PGF1alpha)

ChEBI IDCHEBI:230085
ChEBI NamePG(a-15:0/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H77O13P
Net Charge0
Average Mass809.028
Monoisotopic Mass808.51018
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)CO)[C@@H](O)C[C@H]1O
InChIInChI=1S/C41H77O13P/c1-4-6-15-21-33(43)25-26-37-36(38(45)27-39(37)46)22-17-13-14-19-24-41(48)54-35(31-53-55(49,50)52-29-34(44)28-42)30-51-40(47)23-18-12-10-8-7-9-11-16-20-32(3)5-2/h25-26,32-39,42-46H,4-24,27-31H2,1-3H3,(H,49,50)/b26-25+/t32?,33-,34-,35+,36+,37+,38-,39+/m0/s1
InChIKeySQOZATSYBBZYAY-CFVDGVJGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PG(a-15:0/PGF1alpha) (CHEBI:230085) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] 12-methyltetradecanoate
Manual XrefsDatabases
128427794ChemSpider
HMDB0270730HMDB