(Q27104291)

inferred from isomeric SMILES

1 February 2021

mass

174.05392057982002 dalton

1 reference

based on heuristic

chemical formula

C₇H₁₀O₅²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)C(C(C(=O)[O-])O)C(=O)[O-]

1 reference

(2R,3S)-3-Isopropylmalate (English)

5 October 2016

isomeric SMILES

CC(C)[C@@H]([C@H](C(=O)[O-])O)C(=O)[O-]

1 reference

https://plantreactome.gramene.org/PathwayBrowser/#/R-OSA-2744345&DTAB=MT

(2R,3S)-3-Isopropylmalate (English)

5 October 2016

1 reference

Identifiers

InChI

InChI=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/t4-,5+/m0/s1

1 reference

(2R,3S)-3-Isopropylmalate (English)

RNQHMTFBUSSBJQ-CRCLSJGQSA-L

5 October 2016

InChIKey

2 references

(2R,3S)-3-Isopropylmalate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R,3S)-2-Hydroxy-3-isopropylsuccinate (English)

5 October 2016

1 reference

(2R,3S)-3-Isopropylmalate (English)

5 October 2016

ChEBI ID

35121

mapping relation type

1 reference