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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H41NO3
Molecular Weight 367.5658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OLEOYL METHYL .BETA.-ALANINE

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CCC(O)=O

InChI

InChIKey=ZRNBEAAEJJLWTJ-KHPPLWFESA-N
InChI=1S/C22H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23(2)20-19-22(25)26/h10-11H,3-9,12-20H2,1-2H3,(H,25,26)/b11-10-

HIDE SMILES / InChI

Molecular Formula C22H41NO3
Molecular Weight 367.5658
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:42:00 GMT 2023
Edited
by admin
on Fri Dec 15 15:42:00 GMT 2023
Record UNII
91TW32EQX5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OLEOYL METHYL .BETA.-ALANINE
Systematic Name English
.BETA.-ALANINE, N-METHYL-N-(1-OXO-9-OCTADECENYL)-, (Z)-
Common Name English
N-OLEYL-N-METHYL-.BETA.-AMINOPROPIONIC ACID
Systematic Name English
.BETA.-ALANINE, N-METHYL-N-OLEOYL-
Systematic Name English
ALANON AOA
Brand Name English
.BETA.-ALANINE, N-METHYL-N-((9Z)-1-OXO-9-OCTADECENYL)-
Systematic Name English
.BETA.-ALANINE, N-METHYL-N-((9Z)-1-OXO-9-OCTADECEN-1-YL)-
Systematic Name English
Code System Code Type Description
CAS
13052-20-5
Created by admin on Fri Dec 15 15:42:00 GMT 2023 , Edited by admin on Fri Dec 15 15:42:00 GMT 2023
ALTERNATIVE
PUBCHEM
6436483
Created by admin on Fri Dec 15 15:42:00 GMT 2023 , Edited by admin on Fri Dec 15 15:42:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
242-162-7
Created by admin on Fri Dec 15 15:42:00 GMT 2023 , Edited by admin on Fri Dec 15 15:42:00 GMT 2023
PRIMARY
CAS
18289-85-5
Created by admin on Fri Dec 15 15:42:00 GMT 2023 , Edited by admin on Fri Dec 15 15:42:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID701227254
Created by admin on Fri Dec 15 15:42:00 GMT 2023 , Edited by admin on Fri Dec 15 15:42:00 GMT 2023
PRIMARY
FDA UNII
91TW32EQX5
Created by admin on Fri Dec 15 15:42:00 GMT 2023 , Edited by admin on Fri Dec 15 15:42:00 GMT 2023
PRIMARY