Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000003

Phytochemical name: D-Glucuronic Acid

Synonymous chemical names:
Glucuronic acid, D-glucuronic acid, d-glucuronic-acid, d-glucuronic acid

External chemical identifiers:
CID:CID_94715, ChEMBL:CHEMBL496672, ChEBI:CHEBI:47952, SureChEMBL:SCHEMBL30411, MolPort-039-099-202

---

Chemical structure information

SMILES:
OC1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1

InChIKey:
AEMOLEFTQBMNLQ-AQKNRBDQSA-N

DeepSMILES:
OCO[C@H]C=O)O))[C@H][C@@H][C@H]6O))O))O

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

Link to spectral information:
MSBNK-RIKEN-PR100896, MSBNK-Keio_Univ-KO000814, MSBNK-Keio_Univ-KO000815, MSBNK-Keio_Univ-KO000816, MSBNK-Keio_Univ-KO000817, MSBNK-Keio_Univ-KO000818, MSBNK-RIKEN_ReSpect-PS114707

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

---

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: 2.023

---

Chemical structure download