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(2R,3S)-iso(homo)2citrate

PropertiesImage
MNX_IDMNXM4151 Image of MNXM4151
referencechebi:72722
formulaC8H9O7
global charge-3
mol weight217.153
InChIKeyKVEBLTAWTCBJNF-UJURSFKZSA-K
InChIInChI=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)/p-3/t4-,6+/m0/s1
SMILESO=C([O-])CCC[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM4151
SMILES (mnx)[CH2:1]([CH2:2][C@@H:4]([C@H:6]([C:8](=[O:14])[OH:15])[OH:11])[C:7](=[O:12])[OH:13])[CH2:3][C:5](=[O:9])[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72722
chebi:72722
KVEBLTAWTCBJNF-UJURSFKZSA-K 		(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

kegg.compound:C16597
keggC:C16597
KVEBLTAWTCBJNF-UJURSFKZSA-N 		(-)-threo-Iso(homo)2-citrate
(-)-threo-1-Hydroxy-1,2,5-pentanetricarboxylic acid
1-Hydroxypentane-1,2,5-tricarboxylate
threo-(Homo)2-isocitrate

CHEBI:72713
chebi:72713
KVEBLTAWTCBJNF-UJURSFKZSA-N 		(-)-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

bigg.metabolite:tih2cit
biggM:tih2cit 		(-)threo-iso(homo)2citrate

seed.compound:cpd15908
seedM:cpd15908
KVEBLTAWTCBJNF-UJURSFKZSA-K 		(-)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
KVEBLTAWTCBJNF-UJURSFKZSA-K 		(-)threo-iso(homo)2citrate
(-)threo-1-hydroxy-1,2,5-pentane-tricarboxylate
(-)threo-1-hydroxy-1,2,5-pentane-tricarboxylic acid

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