Summary

IMPPAT Phytochemical identifier: IMPHY007724

Phytochemical name: Cerebrin

Synonymous chemical names:
cerebrin

External chemical identifiers:
CID:248574

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC(C(C(CO)N)O)O.CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O

InChI:
InChI=1S/C26H52O3.C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)26(28)29;1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h25,27H,2-24H2,1H3,(H,28,29);16-18,20-22H,2-15,19H2,1H3

InChIKey:
IPJLVGCWSJHFKZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCO))N))O))O.CCCCCCCCCCCCCCCCCCCCCCCCCC=O)O))O

Functional groups:
CC(=O)O, CN, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Sphingolipids

NP Classifier Class: Ceramides

NP-Likeness score: 0.713

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Chemical structure download