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(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate

PropertiesImage
MNX_IDMNXM1104204 Image of MNXM1104204
referencechebi:57429
formulaC7H7O7
global charge-3
mol weight203.126
InChIKeyHHKPKXCSHMJWCF-WVBDSBKLSA-K
InChIInChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/t3-,7-/m1/s1
SMILESC[C@](O)(C(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1 Image of MNXM1104204
SMILES (mnx)[CH3:1][C@@:7]([C@H:3]([CH2:2][C:4](=[O:8])[OH:9])[C:5](=[O:10])[OH:11])([C:6](=[O:12])[OH:13])[OH:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57429
chebi:57429
HHKPKXCSHMJWCF-WVBDSBKLSA-K
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate
(1R,2S)-1-hydroxy-1-methylpropane-1,2,3-tricarboxylate
hmdb:HMDB0303970
HHKPKXCSHMJWCF-WVBDSBKLSA-K
(2R,3S)-2-methylisocitrate
(1R,2S)-1-Hydroxy-1-methylpropane-1,2,3-tricarboxylate
(1R,2S)-1-Hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
(1R,2S)-1-hydroxy-1-methylpropane-1,2,3-tricarboxylate
(2R,3S)-2-Methylisocitric acid
(2R,3S)2-methylisocitrate
(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylic acid

metacyc.compound:CPD-618
metacycM:CPD-618
HHKPKXCSHMJWCF-WVBDSBKLSA-K
(2R,3S)-2-methylisocitrate
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate
methylisocitrate
methylisocitric acid
threo-Ds-2-methylisocitrate

sabiork.compound:7424
sabiorkM:7424
HHKPKXCSHMJWCF-WVBDSBKLSA-N
(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
DL-Threo-2-methylisocitrate
Methylisocitrate
Methylisocitric acid

kegg.compound:C04593
keggC:C04593
HHKPKXCSHMJWCF-WVBDSBKLSA-N
(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Methylisocitrate
Methylisocitric acid

vmhM:micit
vmhmetabolite:micit
HHKPKXCSHMJWCF-WVBDSBKLSA-K
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

CHEBI:15607
chebi:15607
HHKPKXCSHMJWCF-WVBDSBKLSA-N
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
3-carboxy-2,3-dideoxy-4-C-methyl-L-threo-pentaric acid
Methylisocitric acid

lipidmaps:LMFA01050444
lipidmapsM:LMFA01050444
HHKPKXCSHMJWCF-WVBDSBKLSA-N
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
FA 7:2
O5

CHEBI:141790
chebi:141790
HHKPKXCSHMJWCF-UHFFFAOYSA-K
3-hydroxybutane-1,2,3-tricarboxylate
1-hydroxy-1-methylpropane-1,2,3-tricarboxylate

CHEBI:142525
chebi:142525
HHKPKXCSHMJWCF-UHFFFAOYSA-N
3-hydroxybutane-1,2,3-tricarboxylic acid
3-carboxy-2,3-dideoxy-4-C-methylpentaric acid
alpha-methylisocitric acid

bigg.metabolite:micit
biggM:micit
HHKPKXCSHMJWCF-WVBDSBKLSA-K
Methylisocitrate

seed.compound:cpd02799
seedM:cpd02799
HHKPKXCSHMJWCF-WVBDSBKLSA-K
Methylisocitrate
(2R,3S)-2-methylisocitrate
(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate
Methylisocitric acid
methylisocitrate
methylisocitric acid
micit
threo-Ds-2-methylisocitrate
hmdb:HMDB0006471
HHKPKXCSHMJWCF-UHFFFAOYSA-N
Methylisocitric acid
(2R,3S)2-Methylisocitrate
(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
1-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
3-Carboxy-2,3-dideoxy-4-C-methylpentarate
3-Carboxy-2,3-dideoxy-4-C-methylpentaric acid
3-Hydroxy-1,2,3-butanetricarboxylate
3-Hydroxy-1,2,3-butanetricarboxylic acid
3-Hydroxybutane-1,2,3-tricarboxylic acid
D.L-methylisocitrate
DL-Methylisocitric acid
DL-Threo-alpha-methylisocitrate
Methylisocitrate
Threo-alpha-methylisocitrate, (3)H-labeled
a-Methylisocitrate
a-Methylisocitric acid
alpha-Methylisocitrate
alpha-Methylisocitric acid
alpha-methylisocitrate
alpha-methylisocitric acid
threo-alpha-Methylisocitrate

hmdb:HMDB06471
chebi:10869
chebi:145554
chebi:18550
chebi:189
chebi:43909
biggM:M_micit
keggC:M_C04593
seedM:M_cpd02799
vmhM:M_micit
secondary/obsolete/fantasy identifier