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CHEBI:134601 - 1-hexadecanoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:134601
ChEBI Name1-hexadecanoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which the 1- and 2-acyl groups are specified as hexadecanoyl and 7-oxoheptanoyl respectively.
Last Modified12 December 2018
Submittermwilliams
DownloadsMolfile
FormulaC31H60NO9P
Net Charge0
Average Mass621.793
Monoisotopic Mass621.40057
SMILES[H]C(=O)CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C31H60NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30(34)38-27-29(41-31(35)23-20-17-18-21-25-33)28-40-42(36,37)39-26-24-32(2,3)4/h25,29H,5-24,26-28H2,1-4H3/t29-/m1/s1
InChIKeyZFFOCRIWYYAJIJ-GDLZYMKVSA-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-(7-oxoheptanoyl)-sn-glycero-3-phosphocholine (CHEBI:134601) has functional parent 7-oxoheptanoic acid (CHEBI:80588)
1-hexadecanoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholine (CHEBI:134601) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholine (CHEBI:134601) has role Papio hamadryas metabolite (CHEBI:137684)
1-hexadecanoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholine (CHEBI:134601) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
1-hexadecanoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholine (CHEBI:134601) is a aldehyde (CHEBI:17478)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-[(7-oxoheptanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
phosphatidylcholine (16:0/7:0(CHO))ChEBI
1-palmitoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholineChEBI
PC(16:0/7:0(CHO))ChEBI
UniProt Name  Source
1-hexadecanoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholineUniProt