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(1R,2S)-homoisocitrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM984

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	6

formula

C₇H₇O₇

charge

-3

mass

203.12628

reference

chebi:15404

InChIKey

OEJZZCGRGVFWHK-WVZVXSGGSA-K

InChI

InChI=1S/C7H10O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3,5,10H,1-2H2,(H,8,9)(H,11,12)(H,13,14)/p-3/t3-,5+/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15404 chebi:15404	(1R,2S)-homoisocitrate (-)-1-Hydroxy-1,2,4-butanetricarboxylate (-)-homoisocitrate(3-) (1R,2S)-1-Hydroxybutane-1,2,4-tricarboxylate (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate
CHEBI:30903 chebi:30903	(-)-homoisocitric acid (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid
metacyc.compound:HOMO-I-CIT metacycM:HOMO-I-CIT	(1R,2S)-homoisocitrate (-)-1-hydroxy-1,2,4-butanetricarboxylate (-)-threo-isohomocitrate (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate 1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid 1-hydroxy-1,2,4-butanetricarboxylate 1-hydroxybutane-1,2,4-tricarboxylate 2-hydroxy-3-carboxyadipate homo-I-cit homo-iso-citrate homoisocitrate
bigg.metabolite:hicit biggM:hicit	Homoisocitrate
seed.compound:cpd03372 seedM:cpd03372	Homoisocitrate (-)-1-Hydroxy-1,2,4-butanetricarboxylate (-)-1-hydroxy-1,2,4-butanetricarboxylate (-)-threo-Homoisocitrate (-)-threo-isohomocitrate (1R,2S)-1-Hydroxybutane-1,2,4-tricarboxylate (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate (1R,2S)-homoisocitrate 1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid 1-Hydroxybutane-1,2,4-tricarboxylate 1-hydroxy-1,2,4-butanetricarboxylate 1-hydroxybutane-1,2,4-tricarboxylate 2-hydroxy-3-carboxyadipate 3-Carboxy-2-hydroxyadipate hicit homo-I-cit homo-iso-citrate homoisocitrate threo-isohomocitrate
kegg.compound:C05662 keggC:C05662	Homoisocitrate (-)-1-Hydroxy-1,2,4-butanetricarboxylate (-)-threo-Homoisocitrate (1R,2S)-1-Hydroxybutane-1,2,4-tricarboxylate 3-Carboxy-2-hydroxyadipate
sabiork.compound:2824 sabiorkM:2824	Homoisocitrate (-)-1-Hydroxy-1,2,4-butanetricarboxylate (1R,2S)-1-Hydroxybutane-1,2,4-tricarboxylate 1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid 1-Hydroxybutane-1,2,4-tricarboxylate 3-Carboxy-2-hydroxyadipate
CHEBI:36456 chebi:36456	homoisocitrate(1-) dihydrogen 1-hydroxybutane-1,2,4-tricarboxylate dihydrogen homoisocitrate
CHEBI:36455 chebi:36455	homoisocitrate(2-) hydrogen 1-hydroxybutane-1,2,4-tricarboxylate hydrogen homoisocitrate
CHEBI:30904 chebi:30904	homoisocitrate(3-) 1-Hydroxybutane-1,2,4-tricarboxylate 1-hydroxybutane-1,2,4-tricarboxylate 3-Carboxy-2-hydroxyadipate Homoisocitrate homoisocitrate
CHEBI:29094 chebi:29094	homoisocitric acid 1-hydroxybutane-1,2,4-tricarboxylic acid 3-carboxy-2-hydroxyadipic acid
chebi:10767 chebi:11761 chebi:18469 chebi:19972 chebi:24617 chebi:24618 chebi:5756 biggM:M_hicit keggC:M_C05662 seedM:M_cpd03372	secondary/obsolete/fantasy identifier