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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H15N3O2
Molecular Weight 197.2343
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HERCYNINE

SMILES

C[N+](C)(C)[C@@H](CC1=CN=CN1)C([O-])=O

InChI

InChIKey=GPPYTCRVKHULJH-QMMMGPOBSA-N
InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H15N3O2
Molecular Weight 197.2343
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
In vitro reconstitution of Mycobacterial ergothioneine biosynthesis.
2010 May 19
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:14:53 GMT 2023
Edited
by admin
on Sat Dec 16 00:14:53 GMT 2023
Record UNII
M8MWM6K25V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HERCYNINE
MI  
Common Name English
HISTIDINE-BETAINE
Common Name English
(.ALPHA.S)-.ALPHA.-CARBOXY-N,N,N-TRIMETHYL-1H-IMIDAZOLE-4-ETHANAMINIUM INNER SALT
Systematic Name English
L-(1-CARBOXY-2-IMIDAZOL-4-YLETHYL)TRIMETHYL AMMONIUM HYDROXIDE INNER SALT
Common Name English
.ALPHA.-N,N,N-TRIMETHYLHISTIDINE
Common Name English
HERCYNINE [MI]
Common Name English
1H-IMIDAZOLE-4-ETHANAMINIUM, .ALPHA.-CARBOXY-N,N,N-TRIMETHYL-, INNER SALT, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
MERCK INDEX
m5972
Created by admin on Sat Dec 16 00:14:53 GMT 2023 , Edited by admin on Sat Dec 16 00:14:53 GMT 2023
PRIMARY Merck Index
CHEBI
15781
Created by admin on Sat Dec 16 00:14:53 GMT 2023 , Edited by admin on Sat Dec 16 00:14:53 GMT 2023
PRIMARY
PUBCHEM
5459798
Created by admin on Sat Dec 16 00:14:53 GMT 2023 , Edited by admin on Sat Dec 16 00:14:53 GMT 2023
PRIMARY
FDA UNII
M8MWM6K25V
Created by admin on Sat Dec 16 00:14:53 GMT 2023 , Edited by admin on Sat Dec 16 00:14:53 GMT 2023
PRIMARY
CAS
534-30-5
Created by admin on Sat Dec 16 00:14:53 GMT 2023 , Edited by admin on Sat Dec 16 00:14:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID40968054
Created by admin on Sat Dec 16 00:14:53 GMT 2023 , Edited by admin on Sat Dec 16 00:14:53 GMT 2023
PRIMARY