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(3S)-citramalate

PropertiesImage
MNX_IDMNXM1364397 Image of MNXM1364397
referencechebi:30936
formulaC5H6O5
global charge-2
mol weight146.098
InChIKeyXFTRTWQBIOMVPK-YFKPBYRVSA-L
InChIInChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/p-2/t5-/m0/s1
SMILESC[C@](O)(CC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m0/s1 Image of MNXM1364397
SMILES (mnx)[CH3:1][C:2]([C@:3]([CH2:4][C:5]([OH:6])=[O:7])([OH:9])[OH:10])=[O:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:30936
chebi:30936
XFTRTWQBIOMVPK-YFKPBYRVSA-L 		(3S)-citramalate
(2S)-2-hydroxy-2-methylbutanedioate
(2S)-2-hydroxy-2-methylsuccinate
(3S)-Citramalate
(S)-2-Methylmalate
(S)-citramalate
L-Citramalate
L-citramalate(2-)
S-Citramalate

kegg.compound:C02614
keggC:C02614
XFTRTWQBIOMVPK-YFKPBYRVSA-N 		(S)-2-Methylmalate
(2S)-2-Hydroxy-2-methylbutanedioate
(S)-2-Hydroxy-2-methylsuccinic acid
(S)-2-Methylmalic acid
(S)-Citramalate
(S)-Citramalic acid
(S)-alpha-Hydroxypyrotartaric acid
L-Citramalate
L-Citramalic acid
L-alpha-Hydroxypyrotartaric acid

vmhM:citmal
vmhM:citmal
vmhmetabolite:citmal
vmhmetabolite:citmal
XFTRTWQBIOMVPK-YFKPBYRVSA-L 		(S)-Citramalate
2-hydroxy-2-methylbutanedioic acid

metacyc.compound:S-CITRAMALATE
metacycM:S-CITRAMALATE
XFTRTWQBIOMVPK-YFKPBYRVSA-L 		(S)-citramalate
(3S)-alpha-hydroxypyrotartaric acid
(3S)-citramalate
(3S)-citramalic acid
(S)-2-methylmalate
(S)-2-methylmalic acid
L-(+)-citramalate
L-alpha-hydroxypyrotartaric acid
L-citramalate
L-citramalic acid
S-alpha-hydroxypyrotartaric acid
S-citramalic acid
alpha-methylmalate

bigg.metabolite:citm
biggM:citm
XFTRTWQBIOMVPK-UHFFFAOYSA-L 		Citramalate

seed.compound:cpd00607
seedM:cpd00607
XFTRTWQBIOMVPK-UHFFFAOYSA-L 		Citramalate
2-Methylmalic acid
CPD-14325
Citramalic acid
alpha-Hydroxypyrotartaric acid

kegg.compound:C00815
keggC:C00815
XFTRTWQBIOMVPK-UHFFFAOYSA-N 		Citramalate
2-Methylmalic acid
Citramalic acid
alpha-Hydroxypyrotartaric acid
hmdb:HMDB0000426
XFTRTWQBIOMVPK-UHFFFAOYSA-N 		Citramalic acid
(+-)-2-Hydroxy-2-methylsuccinate
(+-)-2-Hydroxy-2-methylsuccinic acid
(R)-2-Hydroxy-2-methylbutanedioate
(R,S)-(b)-Citramalate
(R,S)-(b)-Citramalic acid
(R,S)-b-Methylmalate
(R,S)-b-Methylmalic acid
(R,S)-beta-Methylmalate
(R,S)-beta-Methylmalic acid
(b)-2-Methylmalate
(b)-2-Methylmalic acid
(b)-Citramalate
(b)-Citramalic acid
2-Deoxy-3-C-methyltetrarate
2-Deoxy-3-C-methyltetraric acid
2-Hydroxy-2-methyl-(b)-butanedioate
2-Hydroxy-2-methyl-(b)-butanedioic acid
2-Hydroxy-2-methyl-butanedioate
2-Hydroxy-2-methyl-butanedioic acid
2-Hydroxy-2-methylbutanedioate
2-Hydroxy-2-methylbutanedioic acid
2-Hydroxy-2-methylsuccinate
2-Hydroxy-2-methylsuccinic acid
2-Methyl-(b)-malate
2-Methyl-(b)-malic acid
2-Methylmalate
2-Methylmalic acid
2-hydroxy-2-methylbutanedioic acid
Citramalate
Citramalate, (+-)-isomer
Citramalate, (R)-isomer
Citramalate, (S)-isomer
Citramalic acids
DL-Citramalate
DL-Citramalic acid
a-Hydroxypyrotartarate
a-Hydroxypyrotartaric acid
alpha-Hydroxypyrotartarate
alpha-Hydroxypyrotartaric acid
alpha-Methylmalate
alpha-hydroxypyrotartarate
alpha-hydroxypyrotartaric acid
citramalate, (+-)-

CHEBI:29003
chebi:29003
XFTRTWQBIOMVPK-YFKPBYRVSA-N 		L-citramalic acid
(2S)-2-hydroxy-2-methylbutanedioic acid
(2S)-2-hydroxy-2-methylsuccinic acid
(3S)-Citramalic acid
(3S)-alpha-Hydroxypyrotartaric acid
(S)-2-Hydroxy-2-methylsuccinic acid
(S)-2-methylmalic acid
(S)-Citramalic acid
L-Citramalic acid
L-alpha-Hydroxypyrotartaric acid
S-alpha-Hydroxypyrotartaric acid
S-citramalic acid

seed.compound:cpd01701
seedM:cpd01701
XFTRTWQBIOMVPK-YFKPBYRVSA-L 		S-Citramalate
(2S)-2-Hydroxy-2-methylbutanedioate
(3S)-Citramalate
(3S)-Citramalic acid
(3S)-alpha-Hydroxypyrotartaric acid
(3S)-alpha-hydroxypyrotartaric acid
(3S)-citramalate
(3S)-citramalic acid
(S)-2-Hydroxy-2-methylsuccinic acid
(S)-2-Methylmalate
(S)-2-Methylmalic acid
(S)-2-methylmalate
(S)-2-methylmalic acid
(S)-Citramalate
(S)-Citramalic acid
(S)-alpha-Hydroxypyrotartaric acid
(S)-citramalate
L-(+)-citramalate
L-Citramalate
L-Citramalic acid
L-alpha-Hydroxypyrotartaric acid
L-alpha-hydroxypyrotartaric acid
L-citramalate
L-citramalic acid
S-Citramalic acid
S-alpha-Hydroxypyrotartaric acid
S-alpha-hydroxypyrotartaric acid
S-citramalic acid
alpha-methylmalate

metacyc.compound:CPD-14325
metacycM:CPD-14325
XFTRTWQBIOMVPK-UHFFFAOYSA-L 		citramalate
(R,S)-citramalate
(R,S)-citramalic acid
2-methylmalate
2-methylmalic acid
D,L-citramalate
D,L-citramalic acid
alpha-hydroxypyrotartaric acid
citramalic acid

CHEBI:13997
chebi:13997
XFTRTWQBIOMVPK-UHFFFAOYSA-L 		citramalate
2-hydroxy-2-methylbutanedioate
2-hydroxy-2-methylsuccinate
2-methylmalate
citramalate(2-)

CHEBI:15584
chebi:15584
XFTRTWQBIOMVPK-UHFFFAOYSA-N 		citramalic acid
(+-)-2-hydroxy-2-methylsuccinic acid
2-Methylmalic acid
2-hydroxy-2-methylbutanedioic acid
2-hydroxy-2-methylsuccinic acid
2-methylmalic acid
Citramalic acid
alpha-Hydroxypyrotartaric acid
alpha-hydroxypyrotartaric acid
citramalic acids

envipath:...f54daa8332a4
envipathM:...f54daa8332a4
XFTRTWQBIOMVPK-UHFFFAOYSA-L 		compound 0001132

envipath:...cef089f73b4f
envipathM:...cef089f73b4f
XFTRTWQBIOMVPK-UHFFFAOYSA-L 		compound 0048859

hmdb:HMDB00426
chebi:10889
chebi:11039
chebi:18569
chebi:18570
chebi:18775
chebi:18776
chebi:23319
chebi:30937
chebi:3725
chebi:385
chebi:415
biggM:M_citm
keggC:M_C00815
keggC:M_C02614
seedM:M_cpd00607
seedM:M_cpd01701
vmhM:M_citmal 		secondary/obsolete/fantasy identifier