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CHEBI:60474 - 1,2-di-O-[1-14C]-palmitoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:60474
ChEBI Name1,2-di-O-[1-14C]-palmitoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1,2-di-O-[1-(14)C]-palmitoyl-sn-glycero-3-phosphocholine
DefinitionA 14C-modified compound that is the 1,2-di-O-palmitoyl-derivative of sn-glycero-3-phosphocholine where both palmitoyl groups have 14C labels at the C-1 position.
Last Modified30 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC38[14C2]H81NO8P
Net Charge+1
Average Mass739.045
Monoisotopic Mass738.57592
SMILESCCCCCCCCCCCCCCC[14C](=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O[14C](=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1/i39+2,40+2
InChIKeyKILNVBDSWZSGLL-WYTZSWIOSA-O
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
drug  Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances.
ChEBI Ontology
Outgoing Relation(s)
1,2-di-O-[1-14C]-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:60474) has role epitope (CHEBI:53000)
1,2-di-O-[1-14C]-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:60474) is a 14C-modified compound (CHEBI:139542)
1,2-di-O-[1-14C]-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:60474) is a 1,2-diacyl-sn-glycero-3-phosphocholine(1+) (CHEBI:16110)
IUPAC Name 
(7R)-7-[(1-14C)hexadecanoyloxy]-4-hydroxy-N,N,N-trimethyl-10-oxo(10-14C)-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide
Synonym  Source
L-α-dipalmitoyl-[1-14C]-phosphatidylcholineChEBI
Citations