4-HYDROXY-ACONITATE ION (CHEBI:40827)

CHEBI:40827 - 4-HYDROXY-ACONITATE ION

Formula	C6H3O7
Net Charge	-3
Average Mass	187.083
Monoisotopic Mass	186.98952
SMILES	[H]O[C@@]([H])(C(=O)[O-])/C(C(=O)[O-])=C(/[H])C(=O)[O-]
InChI	InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h1,4,9H,(H,7,8)(H,10,11)(H,12,13)/p-3/b2-1+/t4-/m1/s1
InChIKey	WUUVSJBKHXDKBS-ROFOPDMZSA-K

ChEBI Ontology

Outgoing Relation(s)
	4-HYDROXY-ACONITATE ION (CHEBI:40827) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(1E,3R)-3-hydroxyprop-1-ene-1,2,3-tricarboxylate	PDBeChem
4-HYDROXY-ACONITATE ION	PDBeChem

Manual Xrefs	Databases
ATH	PDBeChem