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CHEBI:231031 - PG(20:1(11Z)/TXB2)

ChEBI IDCHEBI:231031
ChEBI NamePG(20:1(11Z)/TXB2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H83O14P
Net Charge0
Average Mass891.130
Monoisotopic Mass890.55204
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)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/C46H83O14P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-29-44(51)56-36-40(37-58-61(54,55)57-35-39(49)34-47)59-45(52)30-26-22-21-24-28-41-42(50)33-46(53)60-43(41)32-31-38(48)27-23-6-4-2/h12-13,21,24,31-32,38-43,46-50,53H,3-11,14-20,22-23,25-30,33-37H2,1-2H3,(H,54,55)/b13-12-,24-21-,32-31+/t38-,39-,40+,41-,42-,43+,46?/m0/s1
InChIKeyMZTPZAAUIFSYJO-TYJMBQHWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PG(20:1(11Z)/TXB2) (CHEBI:231031) 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-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
117224376ChemSpider
HMDB0269529HMDB