Summary

IMPPAT Phytochemical identifier: IMPHY008888

Phytochemical name: Amylotetraose; Fujioligo 450; alpha-1,4-Tetraglucose

Synonymous chemical names:
mannan

External chemical identifiers:
CID:870, SureChEMBL:SCHEMBL11981897

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Chemical structure information

SMILES:
OCC1OC(OC2C(CO)OC(C(C2O)O)O)C(C(C1OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O)O)O

InChI:
InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2

InChIKey:
LUEWUZLMQUOBSB-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCCO))OCCC6O))O))O))))))CCC6OCOCCO))CCC6O))O))OCOCCO))CCC6O))O))O))))))))))))O))O

Functional groups:
CO, COC(C)O, COC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCC(OC3CCC(OC4CCCOC4)OC3)OC2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCC(OC3CCC(OC4CCCOC4)OC3)OC2)OC1

Scaffold Graph level:
C1CCC(CC2CCC(CC3CCC(CC4CCCCC4)CC3)CC2)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: Polysaccharides

NP-Likeness score: 1.235

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Chemical structure download