U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H8O5
Molecular Weight 160.1247
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-KETOADIPIC ACID

SMILES

OC(=O)CCC(=O)CC(O)=O

InChI

InChIKey=RTGHRDFWYQHVFW-UHFFFAOYSA-N
InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)

HIDE SMILES / InChI

Molecular Formula C6H8O5
Molecular Weight 160.1247
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:33:46 GMT 2025
Edited
by admin
on Mon Mar 31 19:33:46 GMT 2025
Record UNII
1379JRA56F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-18511
Preferred Name English
.BETA.-KETOADIPIC ACID
Common Name English
HEXANEDIOIC ACID, 3-OXO-
Common Name English
3-KETOADIPIC ACID
Systematic Name English
.BETA.-OXOADIPIC ACID
Common Name English
BETA-KETOADIPIC ACID
Common Name English
3-OXOHEXANEDIOIC ACID
Systematic Name English
3-OXOADIPIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
93
Created by admin on Mon Mar 31 19:33:46 GMT 2025 , Edited by admin on Mon Mar 31 19:33:46 GMT 2025
PRIMARY
CHEBI
37440
Created by admin on Mon Mar 31 19:33:46 GMT 2025 , Edited by admin on Mon Mar 31 19:33:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID30218974
Created by admin on Mon Mar 31 19:33:46 GMT 2025 , Edited by admin on Mon Mar 31 19:33:46 GMT 2025
PRIMARY
CAS
689-31-6
Created by admin on Mon Mar 31 19:33:46 GMT 2025 , Edited by admin on Mon Mar 31 19:33:46 GMT 2025
PRIMARY
FDA UNII
1379JRA56F
Created by admin on Mon Mar 31 19:33:46 GMT 2025 , Edited by admin on Mon Mar 31 19:33:46 GMT 2025
PRIMARY
MESH
C027316
Created by admin on Mon Mar 31 19:33:46 GMT 2025 , Edited by admin on Mon Mar 31 19:33:46 GMT 2025
PRIMARY
NSC
18511
Created by admin on Mon Mar 31 19:33:46 GMT 2025 , Edited by admin on Mon Mar 31 19:33:46 GMT 2025
PRIMARY