CHEBI:75290 - 1-O-octadecyl-2-palmitoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-O-octadecyl-2-palmitoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:75290
ChEBI ASCII Name 1-O-octadecyl-2-palmitoyl-sn-glycero-3-phosphocholine
Definition A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine betaine where the alkyl and the acyl groups at position 1 and 2 are octadecyl and palmitoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C42H86NO7P
Net Charge 0
Average Mass 748.10850
Monoisotopic Mass 747.61419
InChI InChI=1S/C42H86NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/t41-/m1/s1
InChIKey GTFLTTXDLGEBAI-VQJSHJPSSA-N
SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing 1-O-octadecyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:75290) has functional parent 1-O-octadecyl-sn-glycero-3-phosphocholine (CHEBI:75216)
1-O-octadecyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:75290) has functional parent hexadecanoic acid (CHEBI:15756)
1-O-octadecyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:75290) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
IUPAC Name
(2R)-2-(hexadecanoyloxy)-3-(octadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
1-O-octadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine SUBMITTER
1-O-octadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine UniProt
1-O-octadecyl-2-palmitoyl-sn-phosphatidylcholine SUBMITTER
1-octadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine LIPID MAPS
PC(O-18:0/16:0) LIPID MAPS
Manual Xref Database
LMGP01020086 LIPID MAPS
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Last Modified
23 September 2013