Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002766

Phytochemical name: Monogalactosyl diglyceride

Synonymous chemical names:
monogalactosyl diglycerides, monogalactosyl diglyceride, Monogalactosyl diglyceride

External chemical identifiers:
CID:CID_129628330

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Chemical structure information

SMILES:
OCC1OC(=O)C(OC1=O)(CO)[C@@]1(O)O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C12H18O12/c13-1-4-6(16)7(17)8(18)12(21,23-4)11(3-15)10(20)22-5(2-14)9(19)24-11/h4-8,13-18,21H,1-3H2/t4-,5?,6+,7+,8-,11?,12+/m1/s1

InChIKey:
KBQXKJGFQODGHT-LAOYOORDSA-N

DeepSMILES:
OCCOC=O)COC6=O)))CO))[C@@]O)O[C@H]CO))[C@@H][C@@H][C@H]6O))O))O

Functional groups:
CO, COC(=O)C, C[C@](O)(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1COC(=O)C(C2CCCCO2)O1

Scaffold Graph/Node level:
OC1COC(O)C(C2CCCCO2)O1

Scaffold Graph level:
CC1CCC(C)C(C2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Monosaccharides

NP-Likeness score: 2.231

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Chemical structure download