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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H10O3
Molecular Weight 166.1739
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATROLACTIC ACID, (+)-

SMILES

C[C@@](O)(C(O)=O)C1=CC=CC=C1

InChI

InChIKey=NWCHELUCVWSRRS-VIFPVBQESA-N
InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H10O3
Molecular Weight 166.1739
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Perturbing the hydrophobic pocket of mandelate racemase to probe phenyl motion during catalysis.
2005 Jun 28
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:09:25 GMT 2023
Edited
by admin
on Sat Dec 16 10:09:25 GMT 2023
Record UNII
22Y6G519RU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATROLACTIC ACID, (+)-
Common Name English
(S)-2-PHENYLLACTIC ACID
Systematic Name English
(S)-2-HYDROXY-2-PHENYLPROPANOIC ACID
Systematic Name English
(S)-(+)-ATROLACTIC ACID
Common Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-METHYL-, (.ALPHA.S)-
Common Name English
(S)-ATROLACTIC ACID
Common Name English
(S)-(+)-.ALPHA.-METHYLMANDELIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
445144
Created by admin on Sat Dec 16 10:09:25 GMT 2023 , Edited by admin on Sat Dec 16 10:09:25 GMT 2023
PRIMARY
CHEBI
40741
Created by admin on Sat Dec 16 10:09:25 GMT 2023 , Edited by admin on Sat Dec 16 10:09:25 GMT 2023
PRIMARY
CAS
13113-71-8
Created by admin on Sat Dec 16 10:09:25 GMT 2023 , Edited by admin on Sat Dec 16 10:09:25 GMT 2023
PRIMARY
DRUG BANK
DB07381
Created by admin on Sat Dec 16 10:09:25 GMT 2023 , Edited by admin on Sat Dec 16 10:09:25 GMT 2023
PRIMARY
FDA UNII
22Y6G519RU
Created by admin on Sat Dec 16 10:09:25 GMT 2023 , Edited by admin on Sat Dec 16 10:09:25 GMT 2023
PRIMARY