Summary

IMPPAT Phytochemical identifier: IMPHY003441

Phytochemical name: 2-Carboxy-D-arabinitol

Synonymous chemical names:
2-carboxyarabinitol, arabinitol, 2-carboxy, arabinitol,2-carboxy

External chemical identifiers:
CID:439944, ChEBI:17077, ZINC:ZINC000000901675, SureChEMBL:SCHEMBL2935030

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Chemical structure information

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

InChI:
InChI=1S/C6H12O7/c7-1-3(9)4(10)6(13,2-8)5(11)12/h3-4,7-10,13H,1-2H2,(H,11,12)/t3-,4-,6-/m1/s1

InChIKey:
XONDRGRALZTVKD-ZMIZWQJLSA-N

DeepSMILES:
OC[C@H][C@H][C@@]C=O)O))CO))O))O))O

Functional groups:
CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Monosaccharides

NP-Likeness score: 1.605

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Chemical structure download