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homocitric acid

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1365052

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₇H₁₀O₇

charge

mass

206.15

reference

InChIKey

XKJVEVRQMLKSMO-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)

SMILES

[CH2:1]([CH2:2][C:7]([CH2:3][C:5](=[O:10])[OH:11])([C:6](=[O:12])[OH:13])[OH:14])[C:4](=[O:8])[OH:9]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17852 chebi:17852	homocitric acid 2-hydroxybutane-1,2,4-tricarboxylic acid 3-Hydroxy-3-carboxyadipic acid Homocitric acid
metacyc.compound:HOMO-CIT metacycM:HOMO-CIT	(2R)-homocitrate (2R)-2-hydroxybutane-1,2,4-tricarboxylate (R)-2-hydroxybutane-1,2,4-tricarboxylate (R)-homocitrate 2-hydroxybutane-1,2,4-tricarboxylate 3-hydroxy-3-carboxyadipic acid homocitrate homocitric acid
metacyc.compound:CPD-150 metacycM:CPD-150	(2S)-homocitrate (S)-2-hydroxy-1,2,4-butanetricarboxylic acid
sabiork.compound:2268 sabiorkM:2268	Homocitrate (R)-2-Hydroxy-1,2,4-butanetricarboxylic acid 2-Hydroxybutane-1,2,4-tricarboxylate 3-Hydroxy-3-carboxyadipic acid Homocitric acid
CHEBI:36457 chebi:36457	homocitrate 2-Hydroxybutane-1,2,4-tricarboxylate 2-hydroxybutane-1,2,4-tricarboxylate 3-hydroxy-3-carboxyadipate Homocitrate homocitrate(3-)
chebi:1147 chebi:11593 chebi:24608 chebi:24609	secondary/obsolete/fantasy identifier