Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006207

Phytochemical name: Gulonic acid

Synonymous chemical names:
d-gulonic acid

External chemical identifiers:
CID:CID_152304, ChEBI:CHEBI:87753, ZINC:ZINC000005131990, FDASRS:1HB2H1463Q, SureChEMBL:SCHEMBL338748

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Chemical structure information

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

InChI:
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m1/s1

InChIKey:
RGHNJXZEOKUKBD-KKQCNMDGSA-N

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

Functional groups:
CO, CC(=O)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Medium-chain hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Monosaccharides

NP-Likeness score: 1.634

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Chemical structure download