(Q27105419)

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

1 reference

CHEBI:1178 (English)

5 October 2016

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

1 reference

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

CHEBI:1178 (English)

5 October 2016

1 reference

Identifiers

InChI

InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/p-2/t7-/m0/s1

1 reference

BITYXLXUCSKTJS-ZETCQYMHSA-L

CHEBI:1178 (English)

5 October 2016

2 references

CHEBI:1178 (English)

5 October 2016

ChEBI release 2020-09-01

0 references

1 reference

English

(2S)-2-Hydroxy-2-isopropylsuccinate (English)

5 October 2016

1 reference

CHEBI:1178 (English)

5 October 2016

mapping relation type

1 reference

English

ECHA Substance Infocard database

(2S)-2-isopropylmalate(2-) (English)

5 October 2016

1 reference

256-395-7

1 reference

stated in

ECHA Substance Infocard ID

100.051.251

27 December 2018

ECHA Substance Infocard ID

(S)-2-hydroxy-2-(isopropyl)succinic acid (English)

quotation

CAS no.: 49601-06-1 (English)

100.051.251

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.051.251

20 December 2018

Human Metabolome Database ID

(S)-2-hydroxy-2-(isopropyl)succinic acid (English)

quotation

CAS no.: 49601-06-1 (English)

0 references

0 references

1 reference

English

(2S)-2-isopropylmalate(2-) (English)