EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86282 - 1-hexanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86282
ChEBI Name1-hexanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 24:0 in which the phosphatidyl acyl groups at positions 1 and 2 are specified as hexanoyl and octadecanoyl respectively.
Last Modified29 January 2016
Submitternamrata
DownloadsMolfile
FormulaC32H64NO8P
Net Charge0
Average Mass621.837
Monoisotopic Mass621.43695
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C32H64NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25-32(35)41-30(28-38-31(34)24-22-9-7-2)29-40-42(36,37)39-27-26-33(3,4)5/h30H,6-29H2,1-5H3/t30-/m1/s1
InChIKeyMTTFPRIVCIOIPM-SSEXGKCCSA-N
ChEBI Ontology
Outgoing Relation(s)
1-hexanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86282) has functional parent hexanoic acid (CHEBI:30776)
1-hexanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86282) has functional parent octadecanoic acid (CHEBI:28842)
1-hexanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86282) is a phosphatidylcholine 24:0 (CHEBI:85564)
IUPAC Name 
(2R)-3-(hexanoyloxy)-2-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(6:0/18:0)ChEBI
PC(24:0)ChEBI
1-hexanoyl-2-stearoyl-sn-glycero-3-phosphocholineChEBI