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Quick Search ZINC ID or SMILES

Synonyms (13)
Vendors (3)
Annotations (18)
Representations (1)
Notes (3)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (1)

ZINC01532613

1532613

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
October 6^th, 2004	11	No

Popular Name: Oxoadipic acid Oxoadipic acid

Find On: PubMed — Wikipedia — Google

CAS Number: 3184-35-8

Other Names:

2-keto-adipate; 2-ketoadipate; 2-Ketoadipic acid; 2-Oxo-hexanedioate; 2-Oxo-hexanedioic acid; 2-oxoadipate; 2-Oxoadipic acid; 2-Oxohexanedioate; 2-Oxohexanedioic acid; 2-oxohexanedionic acid; a-Ketoadipate; a-Ketoadipic acid; a-Oxoadipate; a-Oxoadipic aci

2-Keto-adipate; 2-Ketoadipate; 2-Ketoadipic acid; 2-Oxo-hexanedioate; 2-Oxo-hexanedioic acid; 2-Oxoadipate; 2-Oxoadipic acid; 2-Oxohexanedioate; 2-Oxohexanedioic acid; 2-Oxohexanedionic acid; Oxoadipate; a-Ketoadipate; a-Ketoadipic acid; a-Oxoadipate; a-O

2-keto-adipate; 2-ketoadipate; 2-oxoadipate; 2-oxohexanedionic acid; 2K-ADIPATE; 3184-35-8; alpha-ketoadipate

2-Keto-adipate;2-Ketoadipate;2-Ketoadipic acid;2-Oxo-hexanedioate;2-Oxo-hexanedioic acid;2-Oxoadipate;2-Oxoadipic acid;2-Oxohexanedioate;2-Oxohexanedioic acid;2-Oxohexanedionic acid;a-Ketoadipate;a-Ketoadipic acid;a-Oxoadipate;a-Oxoadipic acid;alpha-Ketoa

2-Keto-adipate;2-Ketoadipate;2-Ketoadipic acid;2-Oxo-hexanedioate;2-Oxo-hexanedioic acid;2-Oxoadipate;2-Oxoadipic acid;2-Oxohexanedioate;2-Oxohexanedioic acid;2-Oxohexanedionic acid;Oxoadipate;a-Ketoadipate;a-Ketoadipic acid;a-Oxoadipate;a-Oxoadipic acid

2-ketoadipicacid

2-oxo-hexanedioic acid

2-oxoadipate(2-)

2-Oxoadipate; 2-Oxoadipic acid; 3184-35-8; C00322

2-oxoadipic acid

CHEBI:11635; CHEBI:1247; CHEBI:19737

SMILES:

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.98	0.72	-98.76	0	5	-2	97	158.109	5	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
UniProt Database Links	AADAT_BOVIN; AADAT_HUMAN; AADAT_MOUSE; AADAT_RAT; AKSA_METAC; AKSA_METJA; AKSA_METKA; AKSA_METMA; AKSA_METTH; AKSF_METJA; DAPAT_METTH; DHTK1_HUMAN; HICDH_THET2; HICDH_THET8; HICD_PYRHO; LYS12_SCHPO; LYS12_YEAST; LYSN_THET2; ODC1_YEAST; ODC2_YEAST; ODC_BOV	ChEBI
Reactome Database Links	REACT_14838; REACT_1865; REACT_2065; REACT_21297	ChEBI
Patent Database Links	WO2007105203	ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description	Species
Amino acid metabolism	Gallus gallus
Lysine catabolism	Schizosaccharomyces pombe Homo sapiens Taeniopygia guttata Dictyostelium discoideum Oryza sativa Danio rerio Rattus norvegicus Mus musculus Xenopus tropicalis Plasmodium falciparum Saccharomyces cerevisiae Drosophila melanogaster Canis familiaris Gallus gallus Bos taurus Caenorhabditis elegans Sus scrofa Arabidopsis thaliana

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

1532655

Synonyms (13)
Vendors (3)
Annotations (18)
Representations (1)
Notes (3)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (1)