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CHEBI:229582 - 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:229582
ChEBI Name1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine
Stars
Submittermwilliams
DownloadsMolfile
FormulaC36H18D54NO8P
Net Charge0
Average Mass732.274
Monoisotopic Mass731.83850
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1/i1D3,2D3,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2,23D2,24D2,25D2,26D2,27D2,28D2,29D2
InChIKeyCITHEXJVPOWHKC-RPLUSTTMSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine (CHEBI:229582) has functional parent 1,2-di-O-myristoyl-sn-glycero-3-phosphocholine (CHEBI:45240)
1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine (CHEBI:229582) is a deuterated compound (CHEBI:76107)
1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine (CHEBI:229582) is a phosphatidylcholine 28:0 (CHEBI:65294)