CHEBI:72744 - 1-hexadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-hexadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:72744
ChEBI ASCII Name 1-hexadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
Definition A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the acyl and alkyl groups are specified as hexadecanoyl (palmitoyl) and hexadecyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C40H82NO7P
Net Charge 0
Average Mass 720.05530
Monoisotopic Mass 719.58289
InChI InChI=1S/C40H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/t39-/m1/s1
InChIKey WOTHHEHCEYHCFE-LDLOPFEMSA-N
SMILES [H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing 1-hexadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72744) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
IUPAC Name
(2R)-3-(hexadecyloxy)-2-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-hexadecyl-2-palmitoyl-sn-glycero-3-phosphocholine ChemIDplus
1-O-hexadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine UniProt
1-O-hexadecyl-2-O-hexadecanoyl-sn-glycero-3-phosphocholine ChEBI
1-O-hexadecyl-2-O-palmitoyl-sn-glycero-3-phosphocholine ChEBI
PC(O-16:0/16:0) SUBMITTER
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Registry Numbers Types Sources
7419980 Reaxys Registry Number Reaxys
88587-94-4 CAS Registry Number ChemIDplus
Last Modified
12 March 2015