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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H21N3O6
Molecular Weight 303.3116
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICOTIANAMINE

SMILES

N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=KRGPXXHMOXVMMM-CIUDSAMLSA-N
InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H21N3O6
Molecular Weight 303.3116
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:39:44 GMT 2023
Edited
by admin
on Sat Dec 16 08:39:44 GMT 2023
Record UNII
2OGX6YHQ1F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NICOTIANAMINE
Common Name English
1-AZETIDINEBUTANOIC ACID, ALPHA-((3-AMINO-3-CARBOXYPROPYL)AMINO)-2-CARBOXY-, (2S-(1(ALPHAR*(R*)),2R*))-
Systematic Name English
Code System Code Type Description
CHEBI
17721
Created by admin on Sat Dec 16 08:39:44 GMT 2023 , Edited by admin on Sat Dec 16 08:39:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID8037677
Created by admin on Sat Dec 16 08:39:44 GMT 2023 , Edited by admin on Sat Dec 16 08:39:44 GMT 2023
PRIMARY
FDA UNII
2OGX6YHQ1F
Created by admin on Sat Dec 16 08:39:44 GMT 2023 , Edited by admin on Sat Dec 16 08:39:44 GMT 2023
PRIMARY
CHEBI
58249
Created by admin on Sat Dec 16 08:39:44 GMT 2023 , Edited by admin on Sat Dec 16 08:39:44 GMT 2023
PRIMARY
CAS
34441-14-0
Created by admin on Sat Dec 16 08:39:44 GMT 2023 , Edited by admin on Sat Dec 16 08:39:44 GMT 2023
PRIMARY
WIKIPEDIA
Nicotianamine
Created by admin on Sat Dec 16 08:39:44 GMT 2023 , Edited by admin on Sat Dec 16 08:39:44 GMT 2023
PRIMARY
PUBCHEM
9882882
Created by admin on Sat Dec 16 08:39:44 GMT 2023 , Edited by admin on Sat Dec 16 08:39:44 GMT 2023
PRIMARY