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CHEBI:230440 - PG(i-24:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Default Structure
ChEBI IDCHEBI:230440
ChEBI NamePG(i-24:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H89O13P
Net Charge0
Average Mass929.223
Monoisotopic Mass928.60408
SMILESCC/C=C\C[C@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C50H89O13P/c1-4-5-26-33-44(52)34-28-23-20-21-24-29-35-47(54)48(55)36-31-38-50(57)63-46(42-62-64(58,59)61-40-45(53)39-51)41-60-49(56)37-30-25-19-17-15-13-11-9-7-6-8-10-12-14-16-18-22-27-32-43(2)3/h5,20-21,23-24,26,28-29,34-35,43-48,51-55H,4,6-19,22,25,27,30-33,36-42H2,1-3H3,(H,58,59)/b23-20+,24-21-,26-5-,34-28+,35-29-/t44-,45-,46+,47+,48+/m0/s1
InChIKeyOWRBOUZIBWEZFX-QCSSPDEFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PG(i-24:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (CHEBI:230440) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxypropyl] 22-methyltricosanoate
Manual XrefsDatabases
117226559ChemSpider
HMDB0272261HMDB