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CHEBI:74482 - 1-octadecyl-2-icosanoyl-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:74482
ChEBI Name1-octadecyl-2-icosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecyl-2-icosanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-38:0 in which the alkyl and acyl groups (located at positions 1 and 2 respectively) are octadecyl and icosanoyl.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC46H94NO7P
Net Charge0
Average Mass804.232
Monoisotopic Mass803.67679
SMILES[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/t45-/m1/s1
InChIKeyBVCZSMAYNCVQDT-WBVITSLISA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-octadecyl-2-icosanoyl-sn-glycero-3-phosphocholine (CHEBI:74482) has functional parent icosanoic acid (CHEBI:28822)
1-octadecyl-2-icosanoyl-sn-glycero-3-phosphocholine (CHEBI:74482) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-octadecyl-2-icosanoyl-sn-glycero-3-phosphocholine (CHEBI:74482) is a phosphatidylcholine O-38:0 (CHEBI:67071)
IUPAC Name 
(2R)-2-(icosanoyloxy)-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-octadecyl-2-eicosanoyl-sn-glycero-3-phosphocholineLIPID MAPS
1-stearyl-2-arachidoyl-sn-glycero-3-phosphocholineHMDB
GPCho O-18:0/20:0ChEBI
GPCho(O-18:0/20:0)ChEBI
PC O-18:0/20:0ChEBI
PC(O-18:0/20:0)HMDB
Manual XrefsDatabases
HMDB0013419HMDB
LMGP01020097LIPID MAPS