UCSF

ZINC01532519

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 10 No

Popular Name: 2-Ketoglutaric acid 2-Ketoglutaric acid

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CAS Numbers: 22202-68-2 , 305-72-6 , 328-50-7 , 39649-91-7 , 5144-42-3 , 5191-97-9 , 71686-01-6 , 997-43-3 , [305-72-6] , [328-50-7] , [42083-41-0] , [71686-01-6]

Other Names:

"2-Ketoglutaric acid disodium salt dihydrate, 99%"

"¦Á-Ketoglutaric acid, 99%"

(S)-2,5-Diaminopentanoic acid compound with 2-oxopentanedioic acid (1:1)

2-Keto-Glutaric Acid [328-50-7]

2-ketoglutarate

2-Ketoglutarate; 2-Ketoglutaric acid; 2-Oxo-1,5-pentanedioate; 2-Oxo-1,5-pentanedioic acid; 2-Oxoglutarate; 2-Oxoglutaric acid; 2-Oxopentanedioate; 2-Oxopentanedioic acid; 2-oxopentanedioic acid, ion(2-); alpha-ketoglutarate; Oxoglutarate

2-Ketoglutarate; 2-Ketoglutaric acid; 2-Oxo-1,5-pentanedioate; 2-Oxo-1,5-pentanedioic acid; 2-Oxoglutarate; 2-Oxoglutaric acid; 2-Oxopentanedioate; 2-Oxopentanedioic acid; Oxoglutarate

2-ketoglutarate; 2-Ketoglutaric acid; 2-oxoglutarate; 2-oxoglutarate(2-); 2-oxopentanedioate; 2-oxopentanedioic acid, ion(2-); alpha-Ketoglutaric acid; Oxoglutaric acid; Pentanedioic acid, 2-oxo-, ion(2-)

2-ketoglutarate; 2-ketoglutaric acid; 2-oxoglutarate; 2-oxoglutaric acid; 2-oxopentanedionate; 2-oxopentanedionic acid; 328-50-7; alpha-ketoglutarate; alpha-ketoglutaric acid; alpha-oxoglutarate; ketoglutarate

2-Ketoglutarate;2-Ketoglutaric acid;2-Oxo-1,5-pentanedioate;2-Oxo-1,5-pentanedioic acid;2-Oxoglutarate;2-Oxoglutaric acid;2-Oxopentanedioate;2-Oxopentanedioic acid;alpha-Ketoglutaric acid;Oxoglutarate

2-Ketoglutarate;2-Ketoglutaric acid;2-Oxo-1,5-pentanedioate;2-Oxo-1,5-pentanedioic acid;2-Oxoglutarate;2-Oxoglutaric acid;2-Oxopentanedioate;2-Oxopentanedioic acid;Oxoglutarate

2-Ketoglutaric acid monosodium salt

2-Ketoglutaric acid sodium salt

2-Ketoglutaric acid, 98%

2-Ketoglutaric acid, disodium salt dihydrate

2-Ketoglutaric acid, disodium salt, dihydrate, 99%

2-Ketoglutaric acid; 2-Oxo-1,5-pentanedioic acid; 2-Oxoglutarate; 2-Oxoglutaric acid; 2-Oxopentanedioic acid; AI3-26938; Alphaketoglutaric acid; Bis(L-arginin)-2-oxoglutarat; Glutaric acid, 2-oxo- (8CI); Glutaric acid, alpha keto; Oxoglutaric acid; Pentan

2-Ketoglutaric acid; 2-Oxoglutarate; 328-50-7; C00026; Oxoglutaric acid; alpha-Ketoglutaric acid

2-Oxo-1,5-pentanedioic acid; 2-Oxoglutaric acid; 2-Oxopentanedioic acid; AI3-26938; Alphaketoglutaric acid; Bis(L-arginin)-2-oxoglutarat; EINECS 206-330-3; Glutaric acid, 2-oxo-; Glutaric acid, alpha keto; LS-183918; NSC 17391; Pentanedioic acid, 2-oxo-

2-Oxo-Glutaric Acid

2-oxoglutarate(1-)

2-oxoglutarate(2-)

2-oxoglutarate; 2-oxopentanedioic acid, ion(2-); alpha-ketoglutarate

2-Oxoglutaric acid

2-Oxoglutaric acid disodium salt

2-Oxopentanedioic acid

2-Oxopentanedioic acid disodium salt

2-oxopentanedioic acid; 328-50-7; nsc17391

?-ketoglutaric acid

a-Ketoglutaric Acid, Disodium Salt [305-72-6]

a-KETOGLUTARIC ACID, DISODIUM SALT; [305-72-6]

a-KETOGLUTARIC ACID; [328-50-7]

alpha-ketoglutarate

alpha-Ketoglutarate calcium

alpha-Ketoglutaric acid

alpha-Ketoglutaric acid disodium dihydrate

alpha-Ketoglutaric acid magnesium salt

ALPHA-KETOGLUTARIC ACID MONOSODIUM SALT

Alpha-ketoglutaric acid sodium salt

alpha-Ketoglutaric acid sodium salt, 98%

Ammonium alpha-ketoglutarate; Diammonium 2-oxoglutarate; Diammonium alpha-ketoglutarate; Glutaric acid, 2-oxo-, diammonium salt; LS-72002; Pentanedioic acid, 2-oxo-, diammonium salt

Calcium 2-oxoglutarate

Calcium alpha-ketoglutarate Monohydrate

calcium;2-oxopentanedioate

CHEBI:11638; CHEBI:19748

Cobaltate(2-), diaquabis (2-oxopentanedioato(2-)-O1,O2)-, dihydrogen; Cobaltate(2-), diaquabis(2-oxopentanedioato(2-)-O(sup 1),O(sup 2))-, dihydrogen; Diaquo-di-(alpha-ketoglutarato-O,O(sup alpha))cobalt(II) dihydrate; LS-54522

DisodiuM 2-Oxoglutarate

Disodium 2-oxoglutarate; EINECS 206-167-8; LS-101641; Pentanedioic acid, 2-oxo-, disodium salt

Disodium2-oxoglutaratedihydrate

KETOGLUTARICACID 2-

L-Ornithine 2-oxoglutarate

L-ornithine alpha-ketoglutarate(2:1) dihydrate

MFCD00004165

MFCD00064195

MFCD00064196

MFCD00065916

MFCD00135994

MFCD00150702

MFCD00216457

MFCD00673323

MFCD04117858

N/A

Oxoglutaric acid

potassium 5-hydroxy-4,5-dioxo-pentanoate

potassium 5-hydroxy-4,5-dioxopentanoate

Potassium a-ketoglutarate

Potassium hydrogen 2-oxoglutarate

QA-3181

¦Á-ketoglutaric acid

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.48 4.22 -95.01 0 5 -2 97 144.082 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 113 - 115 Acros Organics
MP 113-115 °C Indofine
Melting_Point 113-117? Alfa-Aesar
Melting_Point 113-117° Alfa-Aesar
MP 114-115o C Indofine
MP 114-117° Matrix Scientific
MP 116 TCI
UniProt Database Links 2OCL_HYDTT; 2OCS_HYDTT; AADAT_BOVIN; AADAT_HUMAN; AADAT_MOUSE; AADAT_RAT; AASS_ARATH; AASS_BOVIN; AASS_HUMAN; AASS_MOUSE; AASS_RAT; AAT1_ARATH; AAT1_BACSU; AAT1_MEDSA; AAT1_METJA; AAT1_PSEMZ; AAT2_ARATH; AAT2_BACSU; AAT2_METJA; AAT2_PSEMZ; AAT3_ARATH; AAT ChEBI
ALOGPS_SOLUBILITY 5.31e+01 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks
MP 91 - 94 Enamine Building Blocks
MP 91...94 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Notes Assay 82+% Forms a clear solution in water (1.0M)Biological buffer Apollo Scientific Bioactives
UniProt Database Links GLNB_AQUAE; GLNB_AZOBR; GLNB_BRADU; GLNB_CYACA; GLNB_ECO57; GLNB_ECOL6; GLNB_ECOLI; GLNB_HAEIN; GLNB_KLEOX; GLNB_MICDP; GLNB_MYCBO; GLNB_MYCTU; GLNB_NOSP7; GLNB_PASMU; GLNB_PORPU; GLNB_PYRYE; GLNB_RHIEC; GLNB_RHILO; GLNB_RHILV; GLNB_RHIME; GLNB_RHOCA; GLN ChEBI
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage Acros Organics
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minute Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R41: Risk of serious damage to eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGLN1-2-E Egl Nine Homolog 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 900 0.85 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGLN1_HUMAN Q9GZT9 Egl Nine Homolog 1, Human 1000 0.84 Binding ≤ 1μM
EGLN1_HUMAN Q9GZT9 Egl Nine Homolog 1, Human 1000 0.84 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha

Analogs ( Draw Identity 99% 90% 80% 70% )