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(2R,3S)-homoisocitrate

PropertiesImage
MNX_IDMNXM984 Image of MNXM984
referencechebi:15404
formulaC7H7O7
global charge-3
mol weight203.126
InChIKeyOEJZZCGRGVFWHK-WVZVXSGGSA-K
InChIInChI=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
SMILESO=C([O-])CC[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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)/t3-,5+/m0/s1 Image of MNXM984
SMILES (mnx)[CH2:1]([CH2:2][C:4](=[O:8])[OH:9])[C@@H:3]([C@H:5]([C:7](=[O:13])[OH:14])[OH:10])[C:6](=[O:11])[OH:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15404
chebi:15404
OEJZZCGRGVFWHK-WVZVXSGGSA-K 		(2R,3S)-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
OEJZZCGRGVFWHK-WVZVXSGGSA-N 		(-)-homoisocitric acid
(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid

metacyc.compound:HOMO-I-CIT
metacycM:HOMO-I-CIT
OEJZZCGRGVFWHK-WVZVXSGGSA-K 		(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

vmhM:hicit
vmhmetabolite:hicit
OEJZZCGRGVFWHK-WVZVXSGGSA-K 		Homoisocitrate (iMM904)

seed.compound:cpd03372
seedM:cpd03372
OEJZZCGRGVFWHK-WVZVXSGGSA-K 		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
OEJZZCGRGVFWHK-WVZVXSGGSA-N 		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
OEJZZCGRGVFWHK-UHFFFAOYSA-K 		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

envipath:...3e6c69ced6dc
envipathM:...3e6c69ced6dc
OEJZZCGRGVFWHK-UHFFFAOYSA-L 		compound 0286176

CHEBI:36456
chebi:36456
OEJZZCGRGVFWHK-UHFFFAOYSA-M 		homoisocitrate(1-)
dihydrogen 1-hydroxybutane-1,2,4-tricarboxylate
dihydrogen homoisocitrate

CHEBI:36455
chebi:36455
OEJZZCGRGVFWHK-UHFFFAOYSA-L 		homoisocitrate(2-)
hydrogen 1-hydroxybutane-1,2,4-tricarboxylate
hydrogen homoisocitrate

CHEBI:30904
chebi:30904
OEJZZCGRGVFWHK-UHFFFAOYSA-K 		homoisocitrate(3-)
1-Hydroxybutane-1,2,4-tricarboxylate
1-hydroxybutane-1,2,4-tricarboxylate
3-Carboxy-2-hydroxyadipate
Homoisocitrate
homoisocitrate

CHEBI:29094
chebi:29094
OEJZZCGRGVFWHK-UHFFFAOYSA-N 		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
vmhM:M_hicit 		secondary/obsolete/fantasy identifier