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CHEBI:230886 - PIP(PGE2/22:4(10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:230886
ChEBI NamePIP(PGE2/22:4(10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H84O19P2
Net Charge0
Average Mass1063.162
Monoisotopic Mass1062.50820
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@@H]1COC(=O)CCC/C=C\C[C@H]2C(=O)C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)OC1)[C@H](O)[C@@H](O)[C@@H]2O
InChIInChI=1S/C51H84O19P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-32-45(56)68-39-36-66-44(55)31-27-24-23-26-30-40-42(53)35-43(54)41(34-33-38(52)29-25-6-4-2)47(58)50(69-71(61,62)63)51(49(60)48(59)46(40)57)70-72(64,65)67-37-39/h5,7,9-10,12-13,15-16,23,26,33-34,38-41,43,46-52,54,57-60H,3-4,6,8,11,14,17-22,24-25,27-32,35-37H2,1-2H3,(H,64,65)(H2,61,62,63)/b7-5-,10-9-,13-12-,16-15-,26-23-,34-33+/t38-,39+,40-,41-,43+,46+,47+,48-,49+,50+,51-/m0/s1
InChIKeyIVXCWXPOXAKFTQ-KQCSHYLHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(PGE2/22:4(10Z,13Z,16Z,19Z)) (CHEBI:230886) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1S,6R,13Z,16R,19R,20S,21R,22R,23R,24S,25R)-3,19,21,23,24,25-hexahydroxy-20-[(E,3S)-3-hydroxyoct-1-enyl]-3,9,17-trioxo-22-phosphonooxy-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacos-13-en-6-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate