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Details

Stereochemistry ABSOLUTE
Molecular Formula C5H9NO4
Molecular Weight 147.1293
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-L-ASPARTIC ACID, (3S)-

SMILES

C[C@@H]([C@H](N)C(O)=O)C(O)=O

InChI

InChIKey=LXRUAYBIUSUULX-HRFVKAFMSA-N
InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1

HIDE SMILES / InChI

Molecular Formula C5H9NO4
Molecular Weight 147.1293
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:14:51 GMT 2023
Edited
by admin
on Sat Dec 16 14:14:51 GMT 2023
Record UNII
X72YFG5KQE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-L-ASPARTIC ACID, (3S)-
Systematic Name English
L-THREO-3-METHYLASPARTIC ACID
Systematic Name English
THREO-.BETA.-METHYL-L-ASPARTIC ACID
Systematic Name English
L-ASPARTIC ACID, 3-METHYL-, (3S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID001031591
Created by admin on Sat Dec 16 14:14:51 GMT 2023 , Edited by admin on Sat Dec 16 14:14:51 GMT 2023
PRIMARY
DRUG BANK
DB04538
Created by admin on Sat Dec 16 14:14:51 GMT 2023 , Edited by admin on Sat Dec 16 14:14:51 GMT 2023
PRIMARY
PUBCHEM
440064
Created by admin on Sat Dec 16 14:14:51 GMT 2023 , Edited by admin on Sat Dec 16 14:14:51 GMT 2023
PRIMARY
WIKIPEDIA
L-threo-3-Methylaspartate
Created by admin on Sat Dec 16 14:14:51 GMT 2023 , Edited by admin on Sat Dec 16 14:14:51 GMT 2023
PRIMARY
FDA UNII
X72YFG5KQE
Created by admin on Sat Dec 16 14:14:51 GMT 2023 , Edited by admin on Sat Dec 16 14:14:51 GMT 2023
PRIMARY
CAS
6061-13-8
Created by admin on Sat Dec 16 14:14:51 GMT 2023 , Edited by admin on Sat Dec 16 14:14:51 GMT 2023
PRIMARY