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CHEBI:77831 - 1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:77831
ChEBI Name1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-palmitoyl-2-propionyl-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 propionyl respectively.
Last Modified6 February 2015
Submitternhn
DownloadsMolfile
FormulaC27H54NO8P
Net Charge0
Average Mass551.702
Monoisotopic Mass551.35870
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC
InChIInChI=1S/C27H54NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)33-23-25(36-26(29)7-2)24-35-37(31,32)34-22-21-28(3,4)5/h25H,6-24H2,1-5H3/t25-/m1/s1
InChIKeyNYXYISVRSYAJDW-RUZDIDTESA-N
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine (CHEBI:77831) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine (CHEBI:77831) has functional parent propionic acid (CHEBI:30768)
1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine (CHEBI:77831) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-(propionyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-hexadecanoyl-2-propanoyl-sn-glycero-3-phosphocholineChEBI
1-palmitoyl-2-propanoyl-sn-glycero-3-phosphocholineChEBI
PC(16:0/3:0)LIPID MAPS
(2R)-3-(palmitoyloxy)-2-(propionyloxy)propyl 2-(trimethylammonio)ethyl phosphateIUPAC
UniProt Name  Source
1-hexadecanoyl-2-propionyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010666LIPID MAPS
Registry NumbersSources
Reaxys:4041794Reaxys
Citations