Summary

IMPPAT Phytochemical identifier: IMPHY014495

Phytochemical name: Methyl-o-D-galacturonate

Synonymous chemical names:
methyl d-galacturonate

External chemical identifiers:
CID:86346375, FDASRS:X890382180, SureChEMBL:SCHEMBL933475, MolPort-035-758-134

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Chemical structure information

SMILES:
COC(=O)[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O

InChI:
InChI=1S/C7H12O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h2-6,9-12H,1H3/t3-,4+,5+,6-/m0/s1

InChIKey:
UNSKAUSCLTVFGO-KCDKBNATSA-N

DeepSMILES:
COC=O)[C@H][C@@H][C@@H][C@H]C=O))O))O))O))O

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

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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: 1.782

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Chemical structure download