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CHEBI:230092 - PI(PGD1/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:230092
ChEBI NamePI(PGD1/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H81O16P
Net Charge0
Average Mass981.167
Monoisotopic Mass980.52622
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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](O)[C@H](O)[C@@H](/C=C/[C@@H](O)CCCCC)C(=O)C[C@@H]2O
InChIInChI=1S/C51H81O16P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-32-45(56)66-39-36-64-44(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)49(60)51(50(61)48(59)46(40)57)67-68(62,63)65-37-39/h5,7,9-10,12-13,15-16,18-19,21-22,33-34,38-42,46-53,57-61H,3-4,6,8,11,14,17,20,23-32,35-37H2,1-2H3,(H,62,63)/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21-,34-33+/t38-,39+,40-,41-,42-,46+,47+,48-,49+,50+,51+/m0/s1
InChIKeyYIQOTFSCSGTWPE-LPAQGXTCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(PGD1/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:230092) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1R,6R,16S,17S,20R,21R,22R,23R,24S,25R)-3,17,21,22,23,24,25-heptahydroxy-20-[(E,3S)-3-hydroxyoct-1-enyl]-3,9,19-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-6-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0278408HMDB