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

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ChEBI Name [(2R)-1,1,2,3,3-Pentadeuterio-3-heptadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
ChEBI ID CHEBI:181138
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C43H79D5NO8P
Net Charge 0
Average Mass 779.148
Monoisotopic Mass 778.62484
InChI InChI=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
InChIKey SXNXGNVZTLZDHE-VMXKQYCESA-N
SMILES P(OCC[N+](C)(C)C)(OC([C@](OC(=O)CCCCCCC/C=C\CCCCCCCC)(C(OC(=O)CCCCCCCCCCCCCCCC)([2H])[2H])[2H])([2H])[2H])([O-])=O
ChEBI Ontology
Outgoing [(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