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CHEBI:230326 - PIP(PGF1alpha/20:0)

ChEBI IDCHEBI:230326
ChEBI NamePIP(PGF1alpha/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H92O19P2
Net Charge0
Average Mass1047.204
Monoisotopic Mass1046.57080
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1COC(=O)CCCCCC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)OC1)[C@H](OP(=O)(O)O)[C@H](O)[C@@H](C=C[C@@H](O)CCCCC)[C@H](O)C[C@@H]2O
InChIInChI=1S/C49H92O19P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-30-43(54)66-37-34-64-42(53)29-25-22-21-24-28-38-40(51)33-41(52)39(32-31-36(50)27-23-6-4-2)45(56)48(67-69(59,60)61)49(47(58)46(57)44(38)55)68-70(62,63)65-35-37/h31-32,36-41,44-52,55-58H,3-30,33-35H2,1-2H3,(H,62,63)(H2,59,60,61)/t36-,37+,38-,39-,40-,41+,44+,45+,46-,47+,48+,49-/m0/s1
InChIKeyWMBAJRLTHZVWCM-MFAHFKJNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(PGF1alpha/20:0) (CHEBI:230326) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1S,6R,16S,17S,19R,20S,21R,22R,23R,24S,25R)-3,17,19,21,23,24,25-heptahydroxy-20-[(3S)-3-hydroxyoct-1-enyl]-3,9-dioxo-22-phosphonooxy-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-6-yl] icosanoate