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(2R,3S)-3-methylmalate

MNXM2512 is deprecated and here replaced by MNXM725944
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM725944 Image of MNXM725944
referencechebi:58511
formulaC5H6O5
global charge-2
mol weight146.098
InChIKeyNPYQJIHHTGFBLN-STHAYSLISA-L
InChIInChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/p-2/t2-,3+/m0/s1
SMILESC[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1 Image of MNXM725944
SMILES (mnx)[CH3:1][C@@H:2]([C@H:3]([C:5](=[O:9])[OH:10])[OH:6])[C:4](=[O:7])[OH:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58511
chebi:58511
NPYQJIHHTGFBLN-STHAYSLISA-L 		(2R,3S)-3-methylmalate
(2R,3S)-2-hydroxy-3-methylbutanedioate
D-erythro-3-methylmalate(2-)

metacyc.compound:CPD-7066
metacycM:CPD-7066
NPYQJIHHTGFBLN-STHAYSLISA-L 		(2R,3S)-3-methylmalate
D-erythro-3-methylmalate
beta-erythro-methylmalate
beta-methyl-D-malate
erythro-beta-methyl-D-malate
hmdb:HMDB0062739
NPYQJIHHTGFBLN-UHFFFAOYSA-N 		3-methylmalate(2-)
2-Hydroxy-3-methylsuccinate
2-Hydroxy-3-methylsuccinic acid
2-hydroxy-3-methylbutanedioic acid
3-Methylmalate
3-Methylmalic acid(2-)
3-methylmalic acid
b-Methylmalate
b-Methylmalic acid
beta-Methylmalate
beta-Methylmalic acid
beta-methylmalate
beta-methylmalic acid

CHEBI:87810
chebi:87810
NPYQJIHHTGFBLN-UHFFFAOYSA-L 		3-methylmalate
2-hydroxy-3-methylbutanedioate
2-hydroxy-3-methylsuccinate
3-methylmalate(2-)
beta-methylmalate(2-)

CHEBI:25312
chebi:25312
NPYQJIHHTGFBLN-UHFFFAOYSA-N 		3-methylmalic acid
2-hydroxy-3-methylbutanedioic acid
2-hydroxy-3-methylsuccinic acid
beta-methylmalate

seed.compound:cpd03593
seedM:cpd03593
kegg.compound:C06032
keggC:C06032
NPYQJIHHTGFBLN-STHAYSLISA-L
NPYQJIHHTGFBLN-STHAYSLISA-N 		D-erythro-3-Methylmalate
(2R,3S)-3-Methylmalate

CHEBI:27394
chebi:27394
NPYQJIHHTGFBLN-STHAYSLISA-N 		D-erythro-3-methylmalic acid
(2R,3S)-2-hydroxy-3-methylbutanedioic acid
(2R,3S)-3-Methylmalate
D-erythro-3-Methylmalate

seed.compound:cpd24703
seedM:cpd24703
NPYQJIHHTGFBLN-STHAYSLISA-L 		beta-erythro-methylmalate
(2R,3S)-3-methylmalate
D-erythro-3-methylmalate
beta-methyl-D-malate
erythro-beta-methyl-D-malate

envipath:...d66dc58e6575
envipathM:...d66dc58e6575
NPYQJIHHTGFBLN-UHFFFAOYSA-L 		compound 0236769

hmdb:HMDB62739
chebi:20924
chebi:4271
keggC:M_C06032
seedM:M_cpd03593
seedM:M_cpd24703 		secondary/obsolete/fantasy identifier