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

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H12O3
Molecular Weight 132.1577
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXYHEXANOIC ACID, (3S)-

SMILES

CCC[C@H](O)CC(O)=O

InChI

InChIKey=HPMGFDVTYHWBAG-YFKPBYRVSA-N
InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H12O3
Molecular Weight 132.1577
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:35:50 GMT 2023
Edited
by admin
on Sat Dec 16 11:35:50 GMT 2023
Record UNII
XD4Y8033LB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXYHEXANOIC ACID, (3S)-
Common Name English
HEXANOIC ACID, 3-HYDROXY-, (3S)-
Systematic Name English
3-HYDROXYHEXANOIC ACID, (+)-
Systematic Name English
(3S)-3-HYDROXYHEXANOIC ACID
Systematic Name English
Code System Code Type Description
CHEBI
37049
Created by admin on Sat Dec 16 11:35:50 GMT 2023 , Edited by admin on Sat Dec 16 11:35:50 GMT 2023
PRIMARY
PUBCHEM
11829482
Created by admin on Sat Dec 16 11:35:50 GMT 2023 , Edited by admin on Sat Dec 16 11:35:50 GMT 2023
PRIMARY
FDA UNII
XD4Y8033LB
Created by admin on Sat Dec 16 11:35:50 GMT 2023 , Edited by admin on Sat Dec 16 11:35:50 GMT 2023
PRIMARY
CAS
66997-60-2
Created by admin on Sat Dec 16 11:35:50 GMT 2023 , Edited by admin on Sat Dec 16 11:35:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID30473965
Created by admin on Sat Dec 16 11:35:50 GMT 2023 , Edited by admin on Sat Dec 16 11:35:50 GMT 2023
PRIMARY