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CHEBI:230106 - PIP(16:2(9Z,12Z)/PGE1)

ChEBI IDCHEBI:230106
ChEBI NamePIP(16:2(9Z,12Z)/PGE1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H78O19P2
Net Charge0
Average Mass985.048
Monoisotopic Mass984.46125
SMILESCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CCCCCCC(=O)O1)C(=O)C[C@@H](O)[C@H](C=C[C@@H](O)CCCCC)[C@@H](O)[C@H]2OP(=O)(O)O
InChIInChI=1S/C45H78O19P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-25-38(49)60-30-33-31-61-66(58,59)64-45-43(54)42(53)40(51)34(24-20-17-18-22-26-39(50)62-33)36(47)29-37(48)35(28-27-32(46)23-19-6-4-2)41(52)44(45)63-65(55,56)57/h7-8,10-11,27-28,32-35,37,40-46,48,51-54H,3-6,9,12-26,29-31H2,1-2H3,(H,58,59)(H2,55,56,57)/b8-7-,11-10-,28-27?/t32-,33+,34-,35-,37+,40+,41+,42-,43+,44+,45-/m0/s1
InChIKeyZYPHVOLGNXBBAC-QYQRMHCYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(16:2(9Z,12Z)/PGE1) (CHEBI:230106) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1S,6R,15R,18R,19S,20R,21R,22R,23S,24R)-3,18,20,22,23,24-hexahydroxy-19-[(3S)-3-hydroxyoct-1-enyl]-3,8,16-trioxo-21-phosphonooxy-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-6-yl]methyl (9Z,12Z)-hexadeca-9,12-dienoate