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CHEBI:134583 - 1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:134583
ChEBI Name1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 31:0 in which the fatty acyl groups at positions 1 and 2 are specified as pentadecanoyl and hexadecanoyl respectively
Last Modified12 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC39H78NO8P
Net Charge0
Average Mass720.026
Monoisotopic Mass719.54651
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C39H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37H,6-36H2,1-5H3/t37-/m1/s1
InChIKeyLLHISNQVRRYJGL-DIPNUNPCSA-N
Species of MetaboliteComponentSourceComments
Papio hamadryas (ncbitaxon:9557) - MetaboLights (MTBLS426)
Roles Classification
Biological Roles:
Papio hamadryas metabolite  Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:134583) has role Papio hamadryas metabolite (CHEBI:137684)
1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:134583) is a phosphatidylcholine 31:0 (CHEBI:134487)
IUPAC Name 
(2R)-2-(hexadecanoyloxy)-3-(pentadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(15:0/16:0)LIPID MAPS
phosphatidylcholine (15:0/16:0)ChEBI
Manual XrefsDatabases
HMDB0007935HMDB
LMGP01010532LIPID MAPS