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CHEBI:230244 - PI(16:1(9Z)/TXB2)

ChEBI IDCHEBI:230244
ChEBI NamePI(16:1(9Z)/TXB2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H79O17P
Net Charge0
Average Mass923.084
Monoisotopic Mass922.50549
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C/C=C\CCCC(=O)O1)[C@@H](O)CC(O)O[C@H](C=C[C@@H](O)CCCCC)[C@@H](O)[C@H]2O
InChIInChI=1S/C45H79O17P/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-25-37(48)58-30-33-31-59-63(56,57)62-45-43(54)41(52)36(28-27-32(46)23-19-6-4-2)61-39(50)29-35(47)34(40(51)42(53)44(45)55)24-20-17-18-22-26-38(49)60-33/h10-11,17,20,27-28,32-36,39-47,50-55H,3-9,12-16,18-19,21-26,29-31H2,1-2H3,(H,56,57)/b11-10-,20-17-,28-27?/t32-,33+,34-,35-,36+,39?,40+,41+,42-,43+,44+,45+/m0/s1
InChIKeyMEFGWKFGXDFDBX-RWNVCVIYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(16:1(9Z)/TXB2) (CHEBI:230244) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1S,6R,12Z,15S,16S,20R,21S,22R,23R,24S,25R)-3,16,18,21,22,23,24,25-octahydroxy-20-[(3S)-3-hydroxyoct-1-enyl]-3,8-dioxo-2,4,7,19-tetraoxa-3lambda5-phosphabicyclo[13.7.3]pentacos-12-en-6-yl]methyl (Z)-hexadec-9-enoate