Alpha-Ketoglutaric Acid
PubChem CID: 51
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| Compound Synonyms | 2-ketoglutaric acid, 2-Oxopentanedioic acid, 328-50-7, 2-oxoglutaric acid, alpha-ketoglutaric acid, alpha-ketoglutarate, 2-oxoglutarate, Oxoglutaric acid, a-ketoglutaric acid, Oxoglutarate, oxogluric acid, 2-Oxo-1,5-pentanedioic acid, Pentanedioic acid, 2-oxo-, alpha Ketoglutarate, Glutaric acid, 2-oxo-, Alphaketoglutaric acid, alpha-Oxoglutaric acid, Oxoglurate, Glutaric acid, alpha keto, 2-ketoglutarate, 2-Oxo-Glutaric Acid, ketoglutaric acid, Pentanedioic acid, oxo-, Bis(L-arginin)-2-oxoglutarat, .alpha.-Ketoglutaric acid, Oxoglurate [INN], MFCD00004165, AI3-26938, 378-50-7, NSC 17391, NSC-17391, alpha-Ketoglutaric acid alpha, DTXSID5033179, CHEBI:30915, 8ID597Z82X, 2-oxo-pentanedioic acid, alpha-keto-Glutaric acid, NSC17391, .alpha.-Oxoglutaric acid, 17091-15-5, CHEMBL1686, ALFA-KETOGLUTARIC ACID, A-KETOGLUTARICUM ACIDUM, OXOGLURIC ACID [MART.], 34410-46-3, DTXCID3013179, OXOGLURIC ACID [WHO-DD], Glutaric acid, 2-oxo- (8CI), 2-OXOPENTANEDIOIC ACID [FHFI], A-KETOGLUTARICUM ACIDUM [HPUS], alphaketoglutarate, .ALPHA.-KETOGLUTARIC ACID [MI], 2-oxopentanedionate, 2-Ketoglutaricacid, Pentanedioic acid, 2-oxo-, sodium salt, OXOGLURIC ACID (MART.), alpha ketoglutaric acid, AKG, CAS-328-50-7, 2-oxo-pentanedioicaci, EINECS 206-330-3, alpha-Ketoglutaricum acidum, UNII-8ID597Z82X, 2oxoglutaric acid, 3ouj, 4nro, 4oct, 4qkd, 4usi, keto glutaric acid, 2-oxoglutaric-acid, alphaOxoglutaric acid, 2oxopentanedioic acid, Glutaric acid, 2oxo, .alpha.-ketoglutarate, alpha-oxo-glutaric acid, alpha -ketoglutaric acid, Pentanedioic acid, 2oxo, alphaKetoglutaricum acidum, hydron, 2-oxopentanedioate, alpha-Oxopentanedioic acid, 2Oxo1,5pentanedioic acid, 2-Oxo-1,5-pentanedioate, bmse000064, bmse000801, bmse000937, SCHEMBL7400, NCIStruc1_001710, NCIStruc2_000215, Glutaric acid, 2oxo (8CI), Glutaric acid, .alpha.-keto-, Glutaric acid, 2-oxo-(8CI), GTPL3636, 2-Ketoglutaric acid (standard), KETOGLUTARIC ACID [INCI], HY-W013636R, NCI17391, Pentanedioic acid, 2-oxo- (9CI), Tox21_110016, Tox21_200918, BBL010614, BDBM50303766, CCG-37641, NCGC00013225, s6237, STK002174, AKOS000120908, CS-W014352, DB02926, DB03806, DB08845, FK09820, HY-W013636, NCGC00013225-01, NCGC00013225-02, NCGC00013225-03, NCGC00013225-04, NCGC00013225-05, NCGC00013225-06, NCGC00090946-01, NCGC00090946-02, NCGC00258472-01, alpha-Ketoglutaric acid, >=99.0% (T), AS-12579, NCI60_001411, SY004310, 2-Oxopentanedioic acid, 2-Oxoglutaric acid, DB-048280, K0005, NS00013803, EN300-18049, C00026, D70548, SBI-0053864.0002, AB00640269-03, Q306140, alpha-Ketoglutaric acid, >=98.5% (NaOH, titration), BRD-K89712525-001-02-1, Z57127547, F2191-0182, 15118487-024F-412C-9995-24E8E6CA72EF, 206-330-3, alpha-Ketoglutaric acid, BioReagent, suitable for cell culture, suitable for insect cell culture |
|---|---|
| Topological Polar Surface Area | 91.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Pathway Kegg Map Id | map00250, map00910, map00020, map00010, map00260, map00330 |
| Description | Flavouring ingredient Alpha-ketoglutaric acid is an important biological compound and is a key intermediate in the Krebs cycle. Alpha-ketoglutaric acid occurs naturally within cells. One of its functions is to combine with ammonia to form glutamic acid and then glutamine. Another function is to combine with nitrogen released in the cell, therefore preventing nitrogen overload. (wikipedia). 2-Oxopentanedioic acid is found in many foods, some of which are carrot, breadnut tree seed, sweet potato, and komatsuna. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P80404, P17735, P17174, P00505, P54687, O15460, P13674, Q8N5Z0, Q9BYV1, P04181, Q02218, Q16773, O15382, P24298, Q9Y617, Q02978, Q8TD30, A4D0W4, Q8NHS2, Q6YP21, Q96HY7, Q9ULD0, Q7Z4N8, Q9Y2K7, Q8NHM5, Q9GZT9, Q96KS0, Q9H6Z9, Q9NXG6 |
| Uniprot Id | P09622, P80404, O14832, P17735, P17174, P00505, P05091, P51648, P30837, P54687, O15460, P13674, Q8N5Z0, O75936, Q9BYV1, P04181, Q02218, Q02809, O00469, O60568, Q16773, O15382, P49448, P00367, P21549, P24298, Q9Y617, Q9UDR5, P48735, O43837, O75874, P50213, P51553, O43175, Q12797, Q9NWT6, Q02978, Q8N465, Q9H9P8, Q4W5N8, Q9NVH6, Q8TD30, Q8IWW8, A4D0W4, Q6NS38, Q32P28, Q8IVL5, Q8IVL6, Q8NHS2, Q6YP21, Q96HY7, Q9ULD0, Q7Z4N8, Q9Y2K7, Q8NHM5, Q9GZT9, Q96KS0, Q9H6Z9, Q9NXG6, Q13686, Q8N371, Q8IUF8, Q9NQR4, Q9H6W3, Q9UPP1, Q8NFU7, Q6N021, O43151, Q03469, P28482, P10275, Q4U2R8, Q5RLM2, Q9R0W2, Q63089, Q16236, n.a., Q9H255, P0DTD1, Q9UGL1 |
| Iupac Name | 2-oxopentanedioic acid |
| Prediction Hob | 1.0 |
| Class | Keto acids and derivatives |
| Target Id | NPT282 |
| Xlogp | -0.9 |
| Superclass | Organic acids and derivatives |
| Subclass | Gamma-keto acids and derivatives |
| Molecular Formula | C5H6O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KPGXRSRHYNQIFN-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.291 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | -0.058 |
| Synonyms | &alpha, -ketoglutaric acid, &alpha, -oxoglutaric acid, 2-Ketoglutarate, 2-Ketoglutaric acid, 2-Oxo-1,5-dipentanedioic acid, 2-Oxo-1,5-pentanedioate, 2-Oxo-1,5-pentanedioic acid, 2-Oxo-Glutaric Acid, 2-Oxoglutarate, 2-Oxoglutaric acid, 2-Oxopentanedioate, 2-oxopentanedionate, 2-oxopentanedionic acid, 2-Oxyglutaric Acid, 305-72-6 (di-hydrochloride salt), 997-43-3 (mono-potassium salt), a-Ketoglutarate, a-Ketoglutaric acid, AKG, Alpha ketoglutarate, Alpha-keto-glutaric acid, Alpha-ketoglutarate, alpha-Ketoglutaric acid, Alpha-ketoglutaric acid alpha, Alpha-oxoglutarate, alpha-Oxoglutaric acid, Alpha-oxopentanedioic acid, Alphaketoglutaric acid, Bis(L-arginin)-2-oxoglutarat, FEMA 3891, Glutaric acid, &alpha, Glutaric acid, 2-oxo-, Glutaric acid, 2-oxo- (8CI), Glutaric acid, alpha keto, keto, Ketoglutarate, Oxoglutarate, Oxoglutaric acid, Pentanedioic acid, 2-oxo-, Pentanedioic acid, 2-oxo- (9CI), α-ketoglutarate, α-ketoglutaric acid, alpha-Ketoglutarate, Α-ketoglutarate, Α-ketoglutaric acid, 2-oxo-1,5-Pentanedioate, 2-oxo-1,5-Pentanedioic acid, 2-Oxopentanedioic acid, alpha-Oxoglutarate, Oxogluric acid, 2 Oxoglutaric acid, Ketoglutaric acid, alpha Ketoglutaric acid, 2 Ketoglutaric acid, alpha Ketoglutarate, alpha Oxoglutarate, 2 Ketoglutarate, 2 Oxoglutarate, alpha-Oxopentanedioic acid, alpha-Keto-glutaric acid, Α-oxoglutaric acid, Α-oxopentanedioic acid, Α-keto-glutaric acid |
| Substituent Name | Gamma-keto acid, Short-chain keto acid, Dicarboxylic acid or derivatives, Alpha-keto acid, Alpha-hydroxy ketone, Ketone, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Alpha-Ketoglutaric Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.022 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 146.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.08519240000000028 |
| Inchi | InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) |
| Smiles | C(CC(=O)O)C(=O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Gamma-keto acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Averrhoa Carambola (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Glochidion Zeylanicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Sphaeranthus Indicus (Plant) Rel Props:Source_db:npass_chem_all