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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:28635 - 2-isopropylmalic acid
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ChEBI Name
2-isopropylmalic acid
ChEBI ID
CHEBI:28635
Definition
A dicarboxylic acid that is malic acid (2-hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by an isopropyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11763, CHEBI:19667, CHEBI:11580
Supplier Information
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Molfile
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Molfile
Formula
C7H12O5
Net Charge
0
Average Mass
176.167
Monoisotopic Mass
176.06847
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)
InChIKey
BITYXLXUCSKTJS-UHFFFAOYSA-N
SMILES
C(C(=O)O)C(C(=O)O)(O)C(C)C
Metabolite of Species
Details
Chlamydomonas reinhardtii
(NCBI:txid3055)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-isopropylmalic acid (
CHEBI:28635
)
has functional parent
succinic acid (
CHEBI:15741
)
2-isopropylmalic acid (
CHEBI:28635
)
has role
metabolite (
CHEBI:25212
)
2-isopropylmalic acid (
CHEBI:28635
)
is a
2-hydroxy carboxylic acid (
CHEBI:52618
)
2-isopropylmalic acid (
CHEBI:28635
)
is a
3-hydroxy carboxylic acid (
CHEBI:61355
)
2-isopropylmalic acid (
CHEBI:28635
)
is a
dicarboxylic acid (
CHEBI:35692
)
2-isopropylmalic acid (
CHEBI:28635
)
is conjugate acid of
2-isopropylmalate (
CHEBI:132917
)
2-isopropylmalic acid (
CHEBI:28635
)
is conjugate acid of
2-isopropylmalate(2−) (
CHEBI:28107
)
Incoming
(2
S
)-2-isopropylmalic acid (
CHEBI:35128
)
is a
2-isopropylmalic acid (
CHEBI:28635
)
2-isopropylmalate (
CHEBI:132917
)
is conjugate base of
2-isopropylmalic acid (
CHEBI:28635
)
2-isopropylmalate(2−) (
CHEBI:28107
)
is conjugate base of
2-isopropylmalic acid (
CHEBI:28635
)
IUPAC Name
2-hydroxy-2-(propan-2-yl)butanedioic acid
Synonyms
Sources
2-hydroxy-2-(1-methylethyl)butanedioic acid
ChemIDplus
2-hydroxy-2-isopropylsuccinic acid
ChEBI
3-carboxy-3-hydroxy-4-methylpentanoic acid
ChEBI
3-carboxy-3-hydroxyisocaproic acid
ChEBI
α-isopropylmalate
ChemIDplus
α-isopropylmalic acid
ChEBI
Registry Numbers
Types
Sources
1707897
Reaxys Registry Number
Reaxys
3237-44-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
17439666
PubMed citation
Europe PMC
22770225
PubMed citation
Europe PMC
Last Modified
16 September 2021