Summary

IMPPAT Phytochemical identifier: IMPHY015693

Phytochemical name: Galactocerebroside

Synonymous chemical names:
galactocerebroside

External chemical identifiers:
CID:44339430, ChEMBL:CHEMBL110111

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Chemical structure information

SMILES:
CCCCCCCCCCCCC/C=CC(C(NC(=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)CO)O

InChI:
InChI=1S/C25H47NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(29)18(16-27)26-25(33)35-24-23(32)22(31)21(30)20(17-28)34-24/h14-15,18-24,27-32H,2-13,16-17H2,1H3,(H,26,33)/b15-14-/t18?,19?,20-,21+,22+,23-,24+/m1/s1

InChIKey:
LEBBDRXHHNYZIA-LDUWYPJVSA-N

DeepSMILES:
CCCCCCCCCCCCC/C=CCCNC=O)O[C@@H]O[C@H]CO))[C@@H][C@@H][C@H]6O))O))O))))))))CO)))O

Functional groups:
C/C=CC, CNC(=O)O[C@@H](C)OC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acyl glycosides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Sphingolipids

NP Classifier Class: Neutral glycosphingolipids

NP-Likeness score: 1.805

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Chemical structure download