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CHEBI:77833 - 1-palmitoyl-2-valeroyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:77833
ChEBI Name1-palmitoyl-2-valeroyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-palmitoyl-2-valeroyl-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and valeroyl respectively.
Last Modified6 February 2015
Submitternhn
DownloadsMolfile
FormulaC29H58NO8P
Net Charge0
Average Mass579.756
Monoisotopic Mass579.39000
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC
InChIInChI=1S/C29H58NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-28(31)35-25-27(38-29(32)21-9-7-2)26-37-39(33,34)36-24-23-30(3,4)5/h27H,6-26H2,1-5H3/t27-/m1/s1
InChIKeyGJOJUVBYCFSGJT-HHHXNRCGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-2-valeroyl-sn-glycero-3-phosphocholine (CHEBI:77833) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-valeroyl-sn-glycero-3-phosphocholine (CHEBI:77833) has functional parent valeric acid (CHEBI:17418)
1-palmitoyl-2-valeroyl-sn-glycero-3-phosphocholine (CHEBI:77833) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-(pentanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(16:0/5:0)LIPID MAPS
(2R)-3-(palmitoyloxy)-2-(pentanoyloxy)propyl 2-(trimethylammonio)ethyl phosphateIUPAC
UniProt Name  Source
1-hexadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010672LIPID MAPS
Registry NumbersSources
Reaxys:4045295Reaxys
Citations