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CHEBI:60475 - 1-O-palmitoyl-2-O-[1-14C]-linoleoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:60475
ChEBI Name1-O-palmitoyl-2-O-[1-14C]-linoleoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-O-palmitoyl-2-O-[1-(14)C]-linoleoyl-sn-glycero-3-phosphocholine
DefinitionA 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine where the 1-O-acyl group is specified as palmitoyl and the linoleoyl group has 14C labels at the C-1 position.
Last Modified30 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC41[14C]H81NO8P
Net Charge+1
Average Mass761.075
Monoisotopic Mass760.57267
SMILESCCCCC/C=C\C/C=C\CCCCCCC[14C](=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/p+1/b16-14-,21-20-/t40-/m1/s1/i42+2
InChIKeyJLPULHDHAOZNQI-WFTBIWLKSA-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-O-palmitoyl-2-O-[1-14C]-linoleoyl-sn-glycero-3-phosphocholine (CHEBI:60475) has role epitope (CHEBI:53000)
1-O-palmitoyl-2-O-[1-14C]-linoleoyl-sn-glycero-3-phosphocholine (CHEBI:60475) is a 14C-modified compound (CHEBI:139542)
1-O-palmitoyl-2-O-[1-14C]-linoleoyl-sn-glycero-3-phosphocholine (CHEBI:60475) is a 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine (CHEBI:15726)
IUPAC Name 
(7R,17Z,20Z)-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl](9-14C)-3,5,8-trioxa-4-phosphahexacosa-17,20-dien-1-aminium 4-oxide
Synonym  Source
L-α-1-palmitoyl-2-linoleyl-[1-14C]-phosphatidylcholineChEBI
Citations