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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12O6
Molecular Weight 228.1987
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Carlosic acid, (S)-

SMILES

CCCC(=O)C1=C(O)[C@H](CC(O)=O)OC1=O

InChI

InChIKey=FTXHMBAGOBNRPN-LURJTMIESA-N
InChI=1S/C10H12O6/c1-2-3-5(11)8-9(14)6(4-7(12)13)16-10(8)15/h6,14H,2-4H2,1H3,(H,12,13)/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H12O6
Molecular Weight 228.1987
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 Fri Dec 15 19:47:43 GMT 2023
Edited
by admin
on Fri Dec 15 19:47:43 GMT 2023
Record UNII
664YY2VD5R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Carlosic acid, (S)-
Common Name English
(S)-(-)-Carlosic acid
Common Name English
(2S)-2,5-Dihydro-3-hydroxy-5-oxo-4-(1-oxobutyl)-2-furanacetic acid
Systematic Name English
(S)-Carlosic acid
Common Name English
CARLOSIC ACID
Common Name English
2-Furanacetic acid, 2,5-dihydro-3-hydroxy-5-oxo-4-(1-oxobutyl)-, (2S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
54687841
Created by admin on Fri Dec 15 19:47:43 GMT 2023 , Edited by admin on Fri Dec 15 19:47:43 GMT 2023
PRIMARY
CAS
33404-61-4
Created by admin on Fri Dec 15 19:47:43 GMT 2023 , Edited by admin on Fri Dec 15 19:47:43 GMT 2023
PRIMARY
FDA UNII
664YY2VD5R
Created by admin on Fri Dec 15 19:47:43 GMT 2023 , Edited by admin on Fri Dec 15 19:47:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID90955030
Created by admin on Fri Dec 15 19:47:43 GMT 2023 , Edited by admin on Fri Dec 15 19:47:43 GMT 2023
PRIMARY