UCSF

ZINC01532521

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 9 No

Popular Name: Oxalacetic acid Oxalacetic acid

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CAS Numbers: 328-42-7 , [328-42-7]

Other Names:

(T-4)-Bis(oxobutanedioate(2-)-O1,O2)aluminate(1-) hydrogen; Aluminate(1-), bis(oxobutanedioate(2-)-O1,O2)-, hydrogen, (T-4)-; Butanedioic acid, oxo-, aluminum complex; LS-16441; Oxaloacetate d'aluminium [French]

2-hydroxy-2-butenedioic acid

2-Hydroxybut-2-enedioic acid

2-Hydroxybut-2-enedioic acid; 2-Hydroxyethylenedicarboxylate; C03981; enol-Oxaloacetate; enol-Oxaloacetic acid

2-hydroxyethylenedicarboxylate; enol-oxaloacetate; enol-oxaloacetic acid

2-Ketosuccinate; 2-Ketosuccinic acid; 2-Oxobutanedioate; 2-Oxobutanedioic acid; 2-Oxosuccinate; 2-Oxosuccinic acid; a-Ketosuccinate; a-Ketosuccinic acid; alpha-Ketosuccinate; alpha-Ketosuccinic acid; Ketosuccinate; Ketosuccinic acid; OAA; oxalacetate; Oxa

2-Ketosuccinate; 2-Ketosuccinic acid; 2-Oxobutanedioate; 2-Oxobutanedioic acid; 2-Oxosuccinate; 2-Oxosuccinic acid; Ketosuccinate; Ketosuccinic acid; OAA; Oxalacetate; Oxaloacetate; Oxaloacetic acid; Oxaloethanoate; Oxaloethanoic acid; Oxosuccinate; Oxosu

2-Ketosuccinate;2-Ketosuccinic acid;2-Oxobutanedioate;2-Oxobutanedioic acid;2-Oxosuccinate;2-Oxosuccinic acid;a-Ketosuccinate;a-Ketosuccinic acid;alpha-Ketosuccinate;alpha-Ketosuccinic acid;Ketosuccinate;Ketosuccinic acid;OAA;Oxalacetate;Oxaloacetate;Oxal

2-Ketosuccinate;2-Ketosuccinic acid;2-Oxobutanedioate;2-Oxobutanedioic acid;2-Oxosuccinate;2-Oxosuccinic acid;Ketosuccinate;Ketosuccinic acid;OAA;Oxalacetate;Oxaloacetate;Oxaloacetic acid;Oxaloethanoate;Oxaloethanoic acid;Oxosuccinate;Oxosuccinic acid;a-K

2-Ketosuccinic acid; Butanedioic acid, oxo-; EINECS 206-329-8; Ketosuccinic acid; LS-182539; NSC 77688; Oxalacetic acid; Oxaloacetic acid; Oxosuccinic acid

2-Oxobutanedioic acid

2-Oxosuccinic acid

Butanedioic acid, oxo-, manganese (2+) salt (1:1); LS-45786; Manganese (2+) oxobutanedioate (1:1); Oxaloacetate neutre de manganese (1:1) [French]

CHEBI:29049; CHEBI:12820; CHEBI:25731; CHEBI:24958; CHEBI:14703

Ketosuccinic acid

Ketosuccinic acid, Oxosuccinic acid

MFCD00002592

Oxalacetic acid, 97%

Oxalacetic acid, 98%

Oxalacetic acid, 98+%

Oxalaceticacid

Oxaloacetate Ion

oxaloacetate(2-)

oxaloacetate; oxaloacetate dianion; oxobutanedioate; oxobutanedioic acid, ion(2-); oxosuccinate

oxaloacetic acid

Oxobutanedioic acid

QB-3671

Store at -20°C

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) -1.76 2.16 -102.11 0 5 -2 97 130.055 3 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 12S_PROFR; 5S_PROFR; AAT1_ARATH; AAT1_BACSU; AAT1_MEDSA; AAT1_METJA; AAT1_PSEMZ; AAT2_ARATH; AAT2_BACSU; AAT2_METJA; AAT2_PSEMZ; AAT3_ARATH; AAT3_BACSU; AAT4_ARATH; AAT5_ARATH; AATA_RHIME; AATB_RHIME; AATB_RHIML; AATC2_BOVIN; AATC2_HUMAN; AATC2_MOUSE; AAT ChEBI
Mp [°C] 161 Acros Organics
MP 161 - 163 Enamine Building Blocks
MP 161...163 Enamine Building Blocks
Melting_Point 161? dec. Alfa-Aesar
Melting_Point 161° dec. Alfa-Aesar
ALOGPS_SOLUBILITY 5.42e+01 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/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 rinsing; P310: Immediately call a Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics

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