Summary

IMPPAT Phytochemical identifier: IMPHY003530

Phytochemical name: Calcium oxalate

Synonymous chemical names:
calcium oxalate, calcium-oxalate, calcium-oxide

External chemical identifiers:
CID:33005, ChEMBL:CHEMBL3184709, ChEBI:60579, FDASRS:2612HC57YE, SureChEMBL:SCHEMBL43709

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Chemical structure information

SMILES:
[O-]C(=O)C(=O)[O-].[Ca+2]

InChI:
InChI=1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2

InChIKey:
QXDMQSPYEZFLGF-UHFFFAOYSA-L

DeepSMILES:
[O-]C=O)C=O)[O-].[Ca+2]

Functional groups:
O=C([O-])C(=O)[O-], [Ca+2]

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Dicarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.212

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Chemical structure download