Summary

IMPPAT Phytochemical identifier: IMPHY005104

Phytochemical name: Cephalin

Synonymous chemical names:
alpha cephalin, alpha-cephalin

External chemical identifiers:
CID:21668201, SureChEMBL:SCHEMBL4572659

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Chemical structure information

SMILES:
NCCOP(=O)(OCC(OC(=O)C)COC(=O)C)O

InChI:
InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-17-19(13,14)16-4-3-10/h9H,3-6,10H2,1-2H3,(H,13,14)

InChIKey:
CFWRDBDJAOHXSH-UHFFFAOYSA-N

DeepSMILES:
NCCOP=O)OCCOC=O)C)))COC=O)C)))))))O

Functional groups:
CN, COC(C)=O, COP(=O)(O)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Glycerophospholipids

ClassyFire Subclass: Glycerophosphoethanolamines

NP-Likeness score: 1.68

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Chemical structure download