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CHEBI:230133 - PIP(PGF1alpha/18:0)

ChEBI IDCHEBI:230133
ChEBI NamePIP(PGF1alpha/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H88O19P2
Net Charge0
Average Mass1019.150
Monoisotopic Mass1018.53950
SMILESCCCCCCCCCCCCCCCCCC(=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/C47H88O19P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-28-41(52)64-35-32-62-40(51)27-23-20-19-22-26-36-38(49)31-39(50)37(30-29-34(48)25-21-6-4-2)43(54)46(65-67(57,58)59)47(45(56)44(55)42(36)53)66-68(60,61)63-33-35/h29-30,34-39,42-50,53-56H,3-28,31-33H2,1-2H3,(H,60,61)(H2,57,58,59)/b30-29+/t34-,35+,36-,37-,38-,39+,42+,43+,44-,45+,46+,47-/m0/s1
InChIKeyQIBRXOIBLXVBSL-MDGPSDRPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(PGF1alpha/18:0) (CHEBI:230133) 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-[(E,3S)-3-hydroxyoct-1-enyl]-3,9-dioxo-22-phosphonooxy-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-6-yl] octadecanoate
Manual XrefsDatabases
HMDB0278823HMDB