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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-O-dodecanoyl-2-O-pentacosanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:44699
ChEBI ASCII Name 1-O-dodecanoyl-2-O-pentacosanoyl-sn-glycero-3-phosphocholine
Definition A 1,2-diacyl-sn-glycero-3-phosphocholine having a dodecanoyl group at the 1-position and a pentacosanoyl group at the 2-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C45H91NO8P
Net Charge +1
Average Mass 805.17970
Monoisotopic Mass 804.64768
InChI InChI=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
InChIKey KWHAREAUZBVBDS-VZUYHUTRSA-O
SMILES CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(O)(=O)OCC[N+](C)(C)C
Roles Classification
Biological Role(s): 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).
(via 1,2-diacyl-sn-glycero-3-phosphocholine(1+) )
Application(s): 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.
(via 1,2-diacyl-sn-glycero-3-phosphocholine(1+) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(2R)-3-(dodecanoyloxy)-2-(pentacosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate PDBeChem
2-[[(2R)-3-dodecanoyloxy-2-pentacosanoyloxypropoxy]hydroxyphosphoryl]oxyethyltrimethylazanium ChEBI
7-[(DODECANOYLOXY)METHYL]-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-3,5,8-TRIOXA-4-PHOSPHADOTRIACONTAN-1-AMINIUM 4-OXIDE PDBeChem
Manual Xrefs Databases
1ZHN PDB
PC6 PDBeChem
View more database links
Citation Waiting for Citations Type Source
16002697 PubMed citation Europe PMC
Last Modified
28 December 2016