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3-isopropylmalate(2-)

MNXM891 is deprecated and here replaced by MNXM741108
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741108 Image of MNXM741108
referencechebi:15592
formulaC7H10O5
global charge-2
mol weight174.152
InChIKeyRNQHMTFBUSSBJQ-UHFFFAOYSA-L
InChIInChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/p-2
SMILESCC(C)C(C(=O)[O-])C(O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4?,5? Image of MNXM741108
SMILES (mnx)[CH3:1][CH:3]([CH3:2])[CH:4]([CH:5]([C:7](=[O:11])[OH:12])[OH:8])[C:6](=[O:9])[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15592
chebi:15592
RNQHMTFBUSSBJQ-UHFFFAOYSA-L 		3-isopropylmalate(2-)
2-hydroxy-3-(propan-2-yl)butanedioate
2-hydroxy-3-isopropylsuccinate

CHEBI:35114
chebi:35114
RNQHMTFBUSSBJQ-UHFFFAOYSA-N 		3-isopropylmalic acid
2-hydroxy-3-(propan-2-yl)butanedioic acid
2-hydroxy-3-isopropylsuccinic acid
3-carboxy-2-hydroxy-4-methylpentanoic acid

chebi:11760
chebi:11843
chebi:20094 		secondary/obsolete/fantasy identifier