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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H9NO2
Molecular Weight 139.1519
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GABACULINE

SMILES

N[C@H]1CC(=CC=C1)C(O)=O

InChI

InChIKey=KFNRJXCQEJIBER-ZCFIWIBFSA-N
InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H9NO2
Molecular Weight 139.1519
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 09:53:47 GMT 2023
Edited
by admin
on Sat Dec 16 09:53:47 GMT 2023
Record UNII
3F3ENU341O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GABACULINE
Common Name English
(5S)-5-AMINO-1,3-CYCLOHEXADIENE-1-CARBOXYLIC ACID
Systematic Name English
1,3-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 5-AMINO-, (5S)-
Systematic Name English
GABACULIN
Common Name English
Code System Code Type Description
PUBCHEM
173685
Created by admin on Sat Dec 16 09:53:47 GMT 2023 , Edited by admin on Sat Dec 16 09:53:47 GMT 2023
PRIMARY
DRUG BANK
DB02054
Created by admin on Sat Dec 16 09:53:47 GMT 2023 , Edited by admin on Sat Dec 16 09:53:47 GMT 2023
PRIMARY
CHEBI
145084
Created by admin on Sat Dec 16 09:53:47 GMT 2023 , Edited by admin on Sat Dec 16 09:53:47 GMT 2023
PRIMARY
CAS
59556-29-5
Created by admin on Sat Dec 16 09:53:47 GMT 2023 , Edited by admin on Sat Dec 16 09:53:47 GMT 2023
PRIMARY
WIKIPEDIA
Gabaculine
Created by admin on Sat Dec 16 09:53:47 GMT 2023 , Edited by admin on Sat Dec 16 09:53:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID70208233
Created by admin on Sat Dec 16 09:53:47 GMT 2023 , Edited by admin on Sat Dec 16 09:53:47 GMT 2023
PRIMARY
FDA UNII
3F3ENU341O
Created by admin on Sat Dec 16 09:53:47 GMT 2023 , Edited by admin on Sat Dec 16 09:53:47 GMT 2023
PRIMARY
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