Summary

IMPPAT Phytochemical identifier: IMPHY004563

Phytochemical name: beta-(1->6)-Galactotriose

Synonymous chemical names:
beta-d-galactopyranosyl-(1¡ú6)-beta-d-galactopyranosyl-(1¡ú6)-d-galactose

External chemical identifiers:
CID:51351734, ChEBI:61765, ZINC:ZINC000064634180

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](O)[C@@H]([C@H]([C@H]3O)O)O)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O

InChI:
InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12+,13-,14-,15-,16-,17-,18-/m1/s1

InChIKey:
FBJQEBRMDXPWNX-GDNUZVBLSA-N

DeepSMILES:
OC[C@H]O[C@@H]OC[C@H]O[C@@H]OC[C@H]O[C@@H]O)[C@@H][C@H][C@H]6O))O))O)))))))[C@@H][C@H][C@H]6O))O))O)))))))[C@@H][C@H][C@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(COC2CCCC(COC3CCCCO3)O2)OC1

Scaffold Graph/Node level:
C1CCC(COC2CCCC(COC3CCCCO3)O2)OC1

Scaffold Graph level:
C1CCC(CCC2CCCC(CCC3CCCCC3)C2)CC1

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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: Disaccharides, Polysaccharides

NP-Likeness score: 1.488

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Chemical structure download