ChemicalBook--->CAS DataBase List--->3184-35-8

3184-35-8

3184-35-8 Structure

3184-35-8 Structure
IdentificationBack Directory
[Name]

2-OXOADIPIC ACID, 98
[CAS]

3184-35-8
[Synonyms]

2-Oxoadipate
Oxoadipic acid
2-oxoadipic acid
2-Ketoadipic acid
A-KETOADIPIC ACID
alpha-Oxoadipic acid
2-OXOADIPIC ACID, 98
alpha-ketoadipicacid
2-oxohexanedioic acid
Hexanedioic acid, 2-oxo-
2-Oxoadipic acid >=95.0% (HPLC)
[Molecular Formula]

C6H8O5
[MDL Number]

MFCD00010004
[MOL File]

3184-35-8.mol
[Molecular Weight]

160.12
Chemical PropertiesBack Directory
[Melting point ]

123-125 °C(lit.)
[Boiling point ]

364.3±25.0 °C(Predicted)
[density ]

1.405±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Water: 250 mg/ml, sonicated
[form ]

A solid
[pka]

2.53±0.54(Predicted)
[color ]

Off-white to light yellow
[InChI]

1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
[InChIKey]

FGSBNBBHOZHUBO-UHFFFAOYSA-N
[SMILES]

OC(=O)CCCC(=O)C(O)=O
[LogP]

-1.220 (est)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

1
[HS Code ]

29183000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Uses]

Oxoadipic acid is a key metabolite of the essential amino acids tryptophan and lysine.
[Definition]

ChEBI: 2-oxoadipic acid is an oxo dicarboxylic acid that is adipic acid substituted by an oxo group at position 2. It has a role as a mouse metabolite and a human urinary metabolite. It is functionally related to an adipic acid. It is a conjugate acid of a 2-oxoadipate(2-).
[Synthesis Reference(s)]

Tetrahedron, 51, p. 1867, 1995 DOI: 10.1016/0040-4020(94)01054-4
[Biochem/physiol Actions]

Important metabolite between the TCA cycle and lysine biosynthesis. Of interest for research on mitochondrial metabolite transporters.
[IC 50]

Human Endogenous Metabolite
[References]

[1] Shibata K, et al. Fluorometric determination of 2-oxoadipic acid, a common metabolite of tryptophan and lysine, by high-performance liquid chromatography with pre-chemical derivatization. Biosci Biotechnol Biochem. 2011;75(1):185-7. Epub 2011 Jan 7. DOI:10.1271/bbb.100723
Spectrum DetailBack Directory
[Spectrum Detail]

2-OXOADIPIC ACID, 98(3184-35-8)MS
2-OXOADIPIC ACID, 98(3184-35-8)1HNMR
2-OXOADIPIC ACID, 98(3184-35-8)13CNMR
2-OXOADIPIC ACID, 98(3184-35-8)IR1
2-OXOADIPIC ACID, 98(3184-35-8)IR2
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