Summary

IMPPAT Phytochemical identifier: IMPHY007233

Phytochemical name: Kaltostat

Synonymous chemical names:
algin, alginate, alginic-acid

External chemical identifiers:
CID:6850754, SureChEMBL:SCHEMBL10118904

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Chemical structure information

SMILES:
COC1OC(C(=O)O)C(C(C1O)O)OC1OC(C(=O)O)C(C(C1O)O)OC

InChI:
InChI=1S/C14H22O13/c1-23-7-3(15)6(18)14(27-9(7)11(19)20)25-8-4(16)5(17)13(24-2)26-10(8)12(21)22/h3-10,13-18H,1-2H3,(H,19,20)(H,21,22)

InChIKey:
GKFPPCXIBHQRQT-UHFFFAOYSA-N

DeepSMILES:
COCOCC=O)O))CCC6O))O))OCOCC=O)O))CCC6O))O))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCCOC2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCCOC2)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: Polysaccharides

NP-Likeness score: 1.32

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Chemical structure download