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CHEBI:230142 - PC(22:3(10Z,13Z,16Z)/TXB2)

ChEBI IDCHEBI:230142
ChEBI NamePC(22:3(10Z,13Z,16Z)/TXB2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H90NO12P
Net Charge0
Average Mass940.250
Monoisotopic Mass939.62006
SMILESCCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=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/C51H90NO12P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-35-49(55)60-42-45(43-62-65(58,59)61-40-39-52(3,4)5)63-50(56)36-32-28-27-30-34-46-47(54)41-51(57)64-48(46)38-37-44(53)33-29-9-7-2/h13-14,16-17,19-20,27,30,37-38,44-48,51,53-54,57H,6-12,15,18,21-26,28-29,31-36,39-43H2,1-5H3/b14-13-,17-16-,20-19-,30-27-,38-37+/t44-,45+,46-,47-,48+,51?/m0/s1
InChIKeyUGBQHBJHOILTLE-OBJXVGHPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(22:3(10Z,13Z,16Z)/TXB2) (CHEBI:230142) 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-[(10Z,13Z,16Z)-tricosa-10,13,16-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0288113HMDB