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CHEBI:134603 - 1-hexadecanoyl-2-hexadecyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:134603
ChEBI Name1-hexadecanoyl-2-hexadecyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-hexadecyl-sn-glycero-3-phosphocholine
DefinitionA 1-acyl-2-alkyl-sn-glycero-3-phosphocholine in which the acyl and alkyl groups at positions 1 and 2 are specified as hexadecanoyl and hexadecyl respectively.
Last Modified13 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC40H82NO7P
Net Charge0
Average Mass720.070
Monoisotopic Mass719.58289
SMILESCCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C40H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-39(38-48-49(43,44)47-36-34-41(3,4)5)37-46-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/t39-/m1/s1
InChIKeySVWBXNAUENUONE-LDLOPFEMSA-N
Species of MetaboliteComponentSourceComments
Papio hamadryas (ncbitaxon:9557) - MetaboLights (MTBLS426)
Roles Classification
Biological Role:
Papio hamadryas metabolite  Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-hexadecyl-sn-glycero-3-phosphocholine (CHEBI:134603) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-hexadecyl-sn-glycero-3-phosphocholine (CHEBI:134603) has role Papio hamadryas metabolite (CHEBI:137684)
1-hexadecanoyl-2-hexadecyl-sn-glycero-3-phosphocholine (CHEBI:134603) is a 1-acyl-2-alkyl-sn-glycero-3-phosphocholine (CHEBI:65215)
1-hexadecanoyl-2-hexadecyl-sn-glycero-3-phosphocholine (CHEBI:134603) is a phosphatidylcholine O-32:0 (CHEBI:85845)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(16:0/O-16:0)ChEBI
phosphatidylcholine (16:0/O-16:0)ChEBI
1-Palmitoyl-2-hexadecyl-sn-glycero-3-phosphocholineChemIDplus
1-palmitoyl-2-palmityl-sn-glycero-3-phosphocholineChEBI
Phpc-1,2ChemIDplus
1-Palmitoyl-2-palmityl-sn-glycerophosphocholineChemIDplus
Registry NumbersSources
Reaxys:30267198Reaxys
CAS:77111-06-9ChemIDplus