Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002529

Phytochemical name: Galactaric acid

Synonymous chemical names:
mucic acid

External chemical identifiers:
CID:CID_3037582, ChEMBL:CHEMBL1232958, ChEBI:CHEBI:30852, ZINC:ZINC000012359024, FDASRS:E149J5OTIF, SureChEMBL:SCHEMBL5901, MolPort-003-939-262

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Chemical structure information

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

InChI:
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-

InChIKey:
DSLZVSRJTYRBFB-DUHBMQHGSA-N

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

Functional groups:
CO, CC(=O)O

Link to spectral information:
MSBNK-Keio_Univ-KO001427, MSBNK-Keio_Univ-KO001428, MSBNK-Keio_Univ-KO001429, MSBNK-Keio_Univ-KO001430, MSBNK-Keio_Univ-KO001431, MSBNK-RIKEN-PR100877, MSBNK-RIKEN_ReSpect-PS104401, MSBNK-RIKEN_ReSpect-PS104407

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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: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 0.823

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Chemical structure download