Summary

IMPPAT Phytochemical identifier: IMPHY013857

Phytochemical name: D-glycero-D-ido-Heptonic acid

Synonymous chemical names:
heptonic acid

External chemical identifiers:
CID:101713, SureChEMBL:SCHEMBL3091

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Chemical structure information

SMILES:
OCC(C(C(C(C(C(=O)O)O)O)O)O)O

InChI:
InChI=1S/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)

InChIKey:
KWMLJOLKUYYJFJ-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCC=O)O))O))O))O))O))O

Functional groups:
CC(=O)O, CO

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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: 1.464

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Chemical structure download