Summary

IMPPAT Phytochemical identifier: IMPHY007948

Phytochemical name: Colfosceril palmitate

Synonymous chemical names:
dipalmitoylphosphatidylcholine

External chemical identifiers:
CID:452110, ChEMBL:CHEMBL1200737, ChEBI:72999, FDASRS:319X2NFW0A, SureChEMBL:SCHEMBL24980, MolPort-006-147-705

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]

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/t38-/m1/s1

InChIKey:
KILNVBDSWZSGLL-KXQOOQHDSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OC[C@@H]OC=O)CCCCCCCCCCCCCCC)))))))))))))))))COP=O)OCC[N+]C)C)C)))))[O-]

Functional groups:
CC(=O)OC, COC(C)=O, COP(=O)([O-])OC, C[N+](C)(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Glycerophospholipids

ClassyFire Subclass: Glycerophosphocholines

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerophospholipids

NP Classifier Class: Glycerophosphocholines

NP-Likeness score: 0.454

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Chemical structure download