Summary

IMPPAT Phytochemical identifier: IMPHY001396

Phytochemical name: 1-Pentadecanoyl-2-eicosanoyl-glycero-3-phosphoethanolamine

Synonymous chemical names:
cephalin

External chemical identifiers:
CID:446872, ChEBI:131145, ZINC:ZINC000024540325

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COP(=O)(OCCN)O)COC(=O)CCCCCCCCCCCCCC

InChI:
InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1

InChIKey:
NJGIRBISCGPRPF-KXQOOQHDSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=O)O[C@@H]COP=O)OCCN))))O))))COC=O)CCCCCCCCCCCCCC

Functional groups:
CC(=O)OC, 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 Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerophospholipids

NP Classifier Class: Glycerophosphoethanolamines

NP-Likeness score: 0.567

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Chemical structure download