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CHEBI:181138 - [(2R)-1,1,2,3,3-Pentadeuterio-3-heptadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

ChEBI IDCHEBI:181138
ChEBI Name[(2R)-1,1,2,3,3-Pentadeuterio-3-heptadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H79D5NO8P
Net Charge0
Average Mass779.149
Monoisotopic Mass778.62484
SMILES[2H]C([2H])(OC(=O)CCCCCCCCCCCCCCCC)[C@@]([2H])(OC(=O)CCCCCCC/C=C\CCCCCCCC)C([2H])([2H])OP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C43H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/b22-20-/t41-/m1/s1/i39D2,40D2,41D
InChIKeySXNXGNVZTLZDHE-VMXKQYCESA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R)-1,1,2,3,3-Pentadeuterio-3-heptadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate (CHEBI:181138) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-1,1,2,3,3-pentadeuterio-3-heptadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate