Basic information
- Standard SMILES
CC(C(=O)O)C(O)(CC(=O)O)C(=O)O- InChIKey
YNOXCRMFGMSKIJ-UHFFFAOYSA-N- Molecular formula
- C7H10O7
- Average molar mass
- 206.15 g/mol
- Monoisotopic mass
- 206.04265266
Overview
2-methylcitric acid is a tricarboxylic acid. It is functionally related to a citric acid. It is a conjugate acid of a 2-methylcitrate(3-).
Names & identifiers
- Preferred name
- 2-Methylcitric acid
- IUPAC
- 2-hydroxybutane-1,2,3-tricarboxylic acid
- English name
- 2-Methylcitric acid
- Molecular formula
- C7H10O7
- Molecular weight
- 206.15
Names & synonyms
2-Methylcitric acid6061-96-7methylcitric acid2-hydroxybutane-1,2,3-tricarboxylic acidDTXSID308636852-hydroxy-1-methylpropane-1,2,3-tricarboxylic acidCHEBI:30835RefChem:882903-Carboxy-3-hydroxy-2-methylpentanedioic acidDTXCID508122712-methylcitrateSCHEMBL271213
Show more names
DL-2-METHYLCITRIC ACIDYNOXCRMFGMSKIJ-UHFFFAOYSA-N2-Methylcitric Acid (unlabelled)Tributyl Acetylcitrate Impurity 341,2,3-Butanetricarboxylic acid, 2-hydroxy-2-Methylcitric Acid (mixture of diastereomers)2-Hydroxy-3-methyl-1,2,3-propanetricarboxylic acid
3-C-carboxy-2,4-dideoxy-2-methylpentaric acid2-hydroxy-1,2,3-butanetricarboxylic acidCS-0062310F91138Q271041552-Methylcitricacid1,2,3-Butanetricarboxylicacid, 2-hydroxy-MFCD01074482
Database identifiers
- CAS
6061-96-7- PubChem CID
- 515
- DTXSID
DTXSID30863685- ChEBI
CHEBI:30835- Nikkaji
- J363.014E
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 79 °C · 79 °C
- Boiling point
- 313.1 · 313.1±42.0 °C(Predicted)
- Density
- 1.637 · 1.637±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.93 · 2.93±0.20(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsExtracellular
Applications
Uses2-Methylcitric Acid is a metabolite of Citric Acid (C521000). It is formed from the condensation of propionoyl-CoA and oxaloacetic acid catalyzed by a citrate synthase enzyme.
Suppliers26 total
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海如吉生物科技发展有限公司021-69955236-807 13918189704 · [email protected]
上海跃腾生物技术有限公司021-36031160 13311776681 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Additional notes
DefinitionChEBI: 2-methylcitric acid is a tricarboxylic acid. It is functionally related to a citric acid. It is a conjugate acid of a 2-methylcitrate(3-).
Related reactions
0 records
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Linked notes
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