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(-)-threo-isodihomocitric acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM4151

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	3

formula

C₈H₁₂O₇

charge

mass

220.0583

reference

InChIKey

KVEBLTAWTCBJNF-UJURSFKZSA-N

InChI

InChI=1S/C8H12O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h4,6,11H,1-3H2,(H,9,10)(H,12,13)(H,14,15)/t4-,6+/m0/s1

SMILES

O=C(O)CCC[C@H](C(=O)O)[C@@H](O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72713 chebi:72713	(-)-threo-isodihomocitric acid (-)-threo-1-hydroxy-1,2,5-pentanetricarboxylic acid (-)-threo-iso(homo)2citric acid (1R,2S)-1-hydroxypentane-1,2,5-tricarboxylic acid (2R,3S)-iso(homo)2citric acid (2R,3S)-isodihomocitric acid
kegg.compound:C16597 keggC:C16597	(-)-threo-Iso(homo)2-citrate (-)-threo-1-Hydroxy-1,2,5-pentanetricarboxylic acid 1-Hydroxypentane-1,2,5-tricarboxylate threo-(Homo)2-isocitrate
bigg.metabolite:tih2cit biggM:tih2cit	(-)threo-iso(homo)2citrate
seed.compound:cpd15908 seedM:cpd15908	(-)threo-iso(homo)2citrate (-)-threo-1-Hydroxy-1,2,5-pentanetricarboxylic acid (-)-threo-Iso(homo)2-citrate (-)threo-1-hydroxy-1,2,5-pentane-tricarboxylate (-)threo-1-hydroxy-1,2,5-pentane-tricarboxylic acid 1-Hydroxypentane-1,2,5-tricarboxylate threo-(Homo)2-isocitrate tih2cit
metacyc.compound:CPD-285 metacycM:CPD-285	(-)threo-iso(homo)2citrate (-)threo-1-hydroxy-1,2,5-pentane-tricarboxylate (-)threo-1-hydroxy-1,2,5-pentane-tricarboxylic acid
CHEBI:72722 chebi:72722	(2R,3S)-iso(homo)2citrate (-)-threo-1-hydroxy-1,2,5-pentane-tricarboxylate(3-) (-)-threo-isodihomocitrate(3-) (1R,2S)-1-hydroxypentane-1,2,5-tricarboxylate (1R,2S)-1-hydroxypentane-1,2,5-tricarboxylate(3-) (2R,3S)-isodihomocitrate
seed.compound:cpd16403 seedM:cpd16403	1-Hydroxypentane-1,2,5-tricarboxylate
biggM:M_tih2cit keggC:M_C16597 seedM:M_cpd15908 seedM:M_cpd16403	secondary/obsolete/fantasy identifier