Summary

IMPPAT Phytochemical identifier: IMPHY008663

Phytochemical name: Lysophosphatidylcholine

Synonymous chemical names:
choline, lysophosphatidyl, lysophosphatidylcholine

External chemical identifiers:
CID:5311264, ChEBI:138424, SureChEMBL:SCHEMBL19821626

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Chemical structure information

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

InChI:
InChI=1S/C10H22NO7P/c1-9(12)16-7-10(13)8-18-19(14,15)17-6-5-11(2,3)4/h10,13H,5-8H2,1-4H3/t10-/m1/s1

InChIKey:
RYCNUMLMNKHWPZ-SNVBAGLBSA-N

DeepSMILES:
O[C@@H]COP=O)OCC[N+]C)C)C)))))[O-]))))COC=O)C

Functional groups:
CO, 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: 1.211

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Chemical structure download