D-Citramalic acid

Details

• Internal ID: fd0df226-d48d-49cb-977e-d85077b78d32
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Hydroxy fatty acids
• IUPAC Name: (2R)-2-hydroxy-2-methylbutanedioic acid
• SMILES (Canonical): CC(CC(=O)O)(C(=O)O)O
• SMILES (Isomeric): C[C@@](CC(=O)O)(C(=O)O)O
• InChI: InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m1/s1
• InChI Key: XFTRTWQBIOMVPK-RXMQYKEDSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₈O₅
• Molecular Weight: 148.11 g/mol
• Exact Mass: 148.03717335 g/mol
• Topological Polar Surface Area (TPSA): 94.80 Ų
• XlogP: -0.90

Synonyms

• 6236-10-8
• (R)-(-)-citramalic acid
• D-(-)-Citramalic acid
• (2R)-2-hydroxy-2-methylbutanedioic acid
• (R)-citramalate
• R-Citramalic acid
• (R)-Citramalic acid
• (R)-2-Hydroxy-2-methylsuccinic acid
• (R)-2-Methylmalic acid
• (-)-CITRAMALIC ACID
• 2R-Methylmalic acid
• D-Citramalate
• D-alpha-Hydroxypyrotartaric acid
• (3R)-Citramalic acid
• Citramalic acid, (-)-
• (2R)-2-hydroxy-2-methylsuccinic acid
• Citramalic acid L-form [MI]
• 788CNO6T4D
• Butanedioic acid, 2-hydroxy-2-methyl-, (2R)-
• (3R)-alpha-Hydroxypyrotartaric acid
• (2R)-2-hydroxy-2-methylbutanedioate
• Malic acid, 2-methyl-
• D-(-)-Citramalic Acid (lithium salt)
• D-(-)-2-Methylmalic acid lithium salt
• D-(-)-CitramalicAcid
• bmse000428
• UNII-788CNO6T4D
• (R)-2-Hydroxy-2-methylsuccinic acid lithium salt
• D-(-)-2-Methylmalic acid
• SCHEMBL346880
• CHEBI:15586
• 6236-10-8 (free acid)
• DTXSID80331440
• XFTRTWQBIOMVPK-RXMQYKEDSA-N
• (R)-alpha-Hydroxypyrotartaric acid
• (R)-2-Hydroxy-2-methylsuccinicacid
• AKOS006377803
• SB47653
• (R)-2-Hydroxy-2-methylbutanedioic acid
• BP-12905
• D-( ndash )-Citramalic acid lithium salt
• C02612
• Q27098122
• 3C7C7D21-82A7-4464-8066-BA3B1D1D30B2

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	91.93%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.47%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.98%	85.14%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	81.75%	90.93%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.28%	97.25%

Plants that contains it

• Arabidopsis thaliana
• Lotus corniculatus
• Lotus corniculatus subsp. corniculatus
• Selenicereus undatus

Cross-Links

• PubChem: 439766
• LOTUS: LTS0098658
• wikiData: Q27098122