Summary

IMPPAT Phytochemical identifier: IMPHY003491

Phytochemical name: Laminaribiose

Synonymous chemical names:
3-o-beta-d-mannopyranosyl-d-mannose, laminaribiose

External chemical identifiers:
CID:439637, ChEBI:18411, SureChEMBL:SCHEMBL22769645

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Chemical structure information

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

InChI:
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11?,12+/m1/s1

InChIKey:
QIGJYVCQYDKYDW-LCOYTZNXSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCOCC2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCOCC2)OC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)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

NP-Likeness score: 2.242

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Chemical structure download