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CHEBI:231147 - PG(i-24:0/TXB2)

Default Structure
ChEBI IDCHEBI:231147
ChEBI NamePG(i-24:0/TXB2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H93O14P
Net Charge0
Average Mass949.254
Monoisotopic Mass948.63029
SMILESCCCCC[C@H](O)/C=C/[C@H]1OC(O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C50H93O14P/c1-4-5-24-30-42(52)34-35-47-45(46(54)36-50(57)64-47)31-26-22-23-28-33-49(56)63-44(40-62-65(58,59)61-38-43(53)37-51)39-60-48(55)32-27-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-25-29-41(2)3/h22,26,34-35,41-47,50-54,57H,4-21,23-25,27-33,36-40H2,1-3H3,(H,58,59)/b26-22-,35-34+/t42-,43-,44+,45-,46-,47+,50?/m0/s1
InChIKeyCMEGFQIORUHUEK-AWKFALABSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PG(i-24:0/TXB2) (CHEBI:231147) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-2-[(Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] 22-methyltricosanoate
Manual XrefsDatabases
117226529ChemSpider
HMDB0272229HMDB