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(2S)-homocitric acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM147632

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

formula

C₇H₁₀O₇

charge

mass

206.04265

reference

InChIKey

XKJVEVRQMLKSMO-ZETCQYMHSA-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)/t7-/m0/s1

SMILES

O=C(O)CC[C@](O)(CC(=O)O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:143966 chebi:143966	(2S)-homocitric acid (2S)-2-hydroxybutane-1,2,4-tricarboxylic acid (S)-2-hydroxybutane-1,2,4-tricarboxylic acid (S)-homocitric acid
metacyc.compound:CPD-150 metacycM:CPD-150	(2S)-homocitrate (S)-2-hydroxy-1,2,4-butanetricarboxylic acid
bigg.metabolite:Shcit biggM:Shcit	S-homocitrate
seed.compound:cpd15833 seedM:cpd15833	S-homocitrate (2S)-homocitrate (S)-2-hydroxy-1,2,4-butanetricarboxylic acid (S)-homocitrate Shcit
biggM:M_Shcit seedM:M_cpd15833	secondary/obsolete/fantasy identifier