Summary

IMPPAT Phytochemical identifier: IMPHY007547

Phytochemical name: Hydroxycitric acid lactone

Synonymous chemical names:
(-)- hydroxycitric acid lactone, (-)-hydroxycitric acid lactone, hydroxycitric acid lactone

External chemical identifiers:
CID:9991606, ChEMBL:CHEMBL2165253, ChEBI:68235, ZINC:ZINC000015115257, FDASRS:7X481546MI, SureChEMBL:SCHEMBL6541949

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Chemical structure information

SMILES:
O=C1O[C@@H]([C@](C1)(O)C(=O)O)C(=O)O

InChI:
InChI=1S/C6H6O7/c7-2-1-6(12,5(10)11)3(13-2)4(8)9/h3,12H,1H2,(H,8,9)(H,10,11)/t3-,6+/m1/s1

InChIKey:
PFHZIWAVXDSFTB-CVYQJGLWSA-N

DeepSMILES:
O=CO[C@@H][C@]C5)O)C=O)O)))C=O)O

Functional groups:
CC(=O)O, CC(=O)OC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Tricarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 1.906

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Chemical structure download