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CHEBI:230218 - PC(24:0/TXB2)

ChEBI IDCHEBI:230218
ChEBI NamePC(24:0/TXB2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H98NO12P
Net Charge0
Average Mass960.325
Monoisotopic Mass959.68266
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)CC(O)O[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C52H98NO12P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-36-50(56)61-43-46(44-63-66(59,60)62-41-40-53(3,4)5)64-51(57)37-33-29-28-31-35-47-48(55)42-52(58)65-49(47)39-38-45(54)34-30-9-7-2/h28,31,38-39,45-49,52,54-55,58H,6-27,29-30,32-37,40-44H2,1-5H3/b31-28-,39-38+/t45-,46+,47-,48-,49+,52?/m0/s1
InChIKeyZEJOWYOYPZYOCX-HGKNLXSHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(24:0/TXB2) (CHEBI:230218) is a thromboxane (CHEBI:26995)
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-tetracosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0288632HMDB