1,2-di-O-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:40265)

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CHEBI:40265 - 1,2-di-O-palmitoyl-sn-glycero-3-phosphocholine

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ChEBI ID	CHEBI:40265
ChEBI Name	1,2-di-O-palmitoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name	1,2-di-O-palmitoyl-sn-glycero-3-phosphocholine
Definition	A 1,2-diacyl-sn-glycero-3-phosphocholine(1+) in which both acyl groups are palmitoyl.
Last Modified	24 January 2024
Downloads	Molfile

Formula	C40H81NO8P
Net Charge	+1
Average Mass	735.061
Monoisotopic Mass	734.56943
SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1
InChIKey	KILNVBDSWZSGLL-KXQOOQHDSA-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)
	1,2-di-O-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:40265) has role epitope (CHEBI:53000)
	1,2-di-O-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:40265) is a 1,2-diacyl-sn-glycero-3-phosphocholine(1+) (CHEBI:16110)
	1,2-di-O-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:40265) is conjugate acid of 1,2-dihexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72999)
Incoming Relation(s)
	1,2-dihexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72999) is conjugate base of 1,2-di-O-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:40265)

IUPAC Name
(7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(hexadecanoyloxy)-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide

Synonyms	Source
1,2-di-O-hexadecanoyl-sn-glycero-3-phosphocholine	ChEBI
DPPC	LIPID MAPS
Dipalmitoyl phosphatidylcholine	LIPID MAPS
1,2-Dipalmitoyl-L-lecithin	LIPID MAPS
PC(16:0/16:0)	LIPID MAPS
1,2-dipalmitoyl-sn-glycero-3-phosphocholine	LIPID MAPS

Manual Xrefs	Databases
2H26	PDB
LMGP01010564	LIPID MAPS

Registry Numbers	Sources
Reaxys:4171099	Reaxys

Citations