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CHEBI:44699 - 1-O-dodecanoyl-2-O-pentacosanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:44699
ChEBI Name1-O-dodecanoyl-2-O-pentacosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-O-dodecanoyl-2-O-pentacosanoyl-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine having a dodecanoyl group at the 1-position and a pentacosanoyl group at the 2-position.
Last Modified28 December 2016
DownloadsMolfile
FormulaC45H91NO8P
Net Charge+1
Average Mass805.196
Monoisotopic Mass804.64768
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C45H90NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-15-13-11-9-7-2/h43H,6-42H2,1-5H3/p+1/t43-/m1/s1
InChIKeyKWHAREAUZBVBDS-VZUYHUTRSA-O
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
drug  Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances.
ChEBI Ontology
Outgoing Relation(s)
1-O-dodecanoyl-2-O-pentacosanoyl-sn-glycero-3-phosphocholine (CHEBI:44699) has role epitope (CHEBI:53000)
1-O-dodecanoyl-2-O-pentacosanoyl-sn-glycero-3-phosphocholine (CHEBI:44699) is a 1,2-diacyl-sn-glycero-3-phosphocholine(1+) (CHEBI:16110)
IUPAC Name 
(7R)-7-[(dodecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphatritriacontan-1-aminium 4-oxide
Synonyms  Source
2-[[(2R)-3-dodecanoyloxy-2-pentacosanoyloxypropoxy]hydroxyphosphoryl]oxyethyltrimethylazaniumChEBI
(2R)-3-(dodecanoyloxy)-2-(pentacosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphatePDBeChem
7-[(DODECANOYLOXY)METHYL]-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-3,5,8-TRIOXA-4-PHOSPHADOTRIACONTAN-1-AMINIUM 4-OXIDEPDBeChem
Manual XrefsDatabases
1ZHNPDB
PC6PDBeChem
Citations