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CHEBI:230944 - PIP(20:2(11Z,14Z)/PGF2alpha)

ChEBI IDCHEBI:230944
ChEBI NamePIP(20:2(11Z,14Z)/PGF2alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H86O19P2
Net Charge0
Average Mass1041.156
Monoisotopic Mass1040.52385
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CC=CCCCC(=O)O1)[C@@H](O)C[C@@H](O)[C@H](C=C[C@@H](O)CCCCC)[C@@H](O)[C@H]2OP(=O)(O)O
InChIInChI=1S/C49H86O19P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-29-42(53)64-34-37-35-65-70(62,63)68-49-47(58)46(57)44(55)38(28-24-21-22-26-30-43(54)66-37)40(51)33-41(52)39(32-31-36(50)27-23-6-4-2)45(56)48(49)67-69(59,60)61/h9-10,12-13,21,24,31-32,36-41,44-52,55-58H,3-8,11,14-20,22-23,25-30,33-35H2,1-2H3,(H,62,63)(H2,59,60,61)/b10-9-,13-12-,24-21?,32-31?/t36-,37+,38-,39-,40-,41+,44+,45+,46-,47+,48+,49-/m0/s1
InChIKeyHPSHVMPVYYQCLJ-GPULJJDNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(20:2(11Z,14Z)/PGF2alpha) (CHEBI:230944) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1S,6R,15S,16S,18R,19S,20R,21R,22R,23S,24R)-3,16,18,20,22,23,24-heptahydroxy-19-[(3S)-3-hydroxyoct-1-enyl]-3,8-dioxo-21-phosphonooxy-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracos-12-en-6-yl]methyl (11Z,14Z)-icosa-11,14-dienoate