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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H13NO2
Molecular Weight 131.1729
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOISOLEUCINE, D-

SMILES

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

InChI

InChIKey=AGPKZVBTJJNPAG-CRCLSJGQSA-N
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H13NO2
Molecular Weight 131.1729
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

D-alloisoleucine is a diastereomer of D-isoleucine. There has been little formal interest in D-alloisoleucine. In one study involving patients with maple syrup urine disease (MSUD), investigators checked for plasma levels of D-alloisoleucine but found no meaningful amount.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Alloisoleucine formation in maple syrup urine disease: isotopic evidence for the mechanism.
1980-07

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:51:40 GMT 2025
Edited
by admin
on Mon Mar 31 22:51:40 GMT 2025
Record UNII
886W169S1R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLOISOLEUCINE, D-
Systematic Name English
THREO-D-ISOLEUCINE
Preferred Name English
D-(-)-ALLOISOLEUCINE
Systematic Name English
D-ALLOISOLEUCINE
Systematic Name English
D-ALLO-ISOLEUCINE
Systematic Name English
(2R,3S)-3-METHYL-2-AMINOPENTANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
1509-35-9
Created by admin on Mon Mar 31 22:51:40 GMT 2025 , Edited by admin on Mon Mar 31 22:51:40 GMT 2025
PRIMARY
PUBCHEM
94206
Created by admin on Mon Mar 31 22:51:40 GMT 2025 , Edited by admin on Mon Mar 31 22:51:40 GMT 2025
PRIMARY
CHEBI
30007
Created by admin on Mon Mar 31 22:51:40 GMT 2025 , Edited by admin on Mon Mar 31 22:51:40 GMT 2025
PRIMARY
CHEBI
20899
Created by admin on Mon Mar 31 22:51:40 GMT 2025 , Edited by admin on Mon Mar 31 22:51:40 GMT 2025
PRIMARY
FDA UNII
886W169S1R
Created by admin on Mon Mar 31 22:51:40 GMT 2025 , Edited by admin on Mon Mar 31 22:51:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID901019590
Created by admin on Mon Mar 31 22:51:40 GMT 2025 , Edited by admin on Mon Mar 31 22:51:40 GMT 2025
PRIMARY
CHEBI
85306
Created by admin on Mon Mar 31 22:51:40 GMT 2025 , Edited by admin on Mon Mar 31 22:51:40 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-143-9
Created by admin on Mon Mar 31 22:51:40 GMT 2025 , Edited by admin on Mon Mar 31 22:51:40 GMT 2025
PRIMARY