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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H10O3
Molecular Weight 130.1418
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-KETOHEXANOIC ACID

SMILES

CC(=O)CCCC(O)=O

InChI

InChIKey=MGTZCLMLSSAXLD-UHFFFAOYSA-N
InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C6H10O3
Molecular Weight 130.1418
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Alicycliphilus denitrificans gen. nov., sp. nov., a cyclohexanol-degrading, nitrate-reducing beta-proteobacterium.
2003 Jan
[Effect of teeth protector on dental injuries during general anesthesia].
2003 Jan
Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect.
2007 Jun 7
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 20:24:03 GMT 2023
Edited
by admin
on Fri Dec 15 20:24:03 GMT 2023
Record UNII
RO0W8YUJ2W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-KETOHEXANOIC ACID
Systematic Name English
HEXANOIC ACID, 5-OXO-
Common Name English
.GAMMA.-ACETYLBUTYRIC ACID
Systematic Name English
5-OXOCAPROIC ACID
Systematic Name English
.DELTA.-OXOCAPROIC ACID
Systematic Name English
5-OXOHEXANOIC ACID
Systematic Name English
.DELTA.-KETOCAPROIC ACID
Systematic Name English
4-ACETYLBUTYRIC ACID
Systematic Name English
NSC-5281
Code English
.DELTA.-KETOHEXANOIC ACID
Systematic Name English
5-KETOCAPROIC ACID
Systematic Name English
CAPROIC ACID, .DELTA.-OXO-
Systematic Name English
Code System Code Type Description
NSC
5281
Created by admin on Fri Dec 15 20:24:03 GMT 2023 , Edited by admin on Fri Dec 15 20:24:03 GMT 2023
PRIMARY
CHEBI
15888
Created by admin on Fri Dec 15 20:24:03 GMT 2023 , Edited by admin on Fri Dec 15 20:24:03 GMT 2023
PRIMARY
FDA UNII
RO0W8YUJ2W
Created by admin on Fri Dec 15 20:24:03 GMT 2023 , Edited by admin on Fri Dec 15 20:24:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-511-7
Created by admin on Fri Dec 15 20:24:03 GMT 2023 , Edited by admin on Fri Dec 15 20:24:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID9062855
Created by admin on Fri Dec 15 20:24:03 GMT 2023 , Edited by admin on Fri Dec 15 20:24:03 GMT 2023
PRIMARY
CAS
3128-06-1
Created by admin on Fri Dec 15 20:24:03 GMT 2023 , Edited by admin on Fri Dec 15 20:24:03 GMT 2023
PRIMARY
PUBCHEM
18407
Created by admin on Fri Dec 15 20:24:03 GMT 2023 , Edited by admin on Fri Dec 15 20:24:03 GMT 2023
PRIMARY