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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H20N2O8
Molecular Weight 332.3065
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SHINORINE

SMILES

COC1=C(C[C@@](O)(CO)C\C1=N/[C@@H](CO)C(O)=O)NCC(O)=O

InChI

InChIKey=WXEQFJUHQIGKNG-MZNRBSSJSA-N
InChI=1S/C13H20N2O8/c1-23-11-7(14-4-10(18)19)2-13(22,6-17)3-8(11)15-9(5-16)12(20)21/h9,14,16-17,22H,2-6H2,1H3,(H,18,19)(H,20,21)/b15-8+/t9-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H20N2O8
Molecular Weight 332.3065
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:39:55 GMT 2023
Edited
by admin
on Sat Dec 16 13:39:55 GMT 2023
Record UNII
CP6FF0KM7E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SHINORINE
INCI  
Official Name English
SHINORINE [INCI]
Common Name English
(E)-N-((5S)-3-((CARBOXYMETHYL)AMINO)-5-HYDROXY-5-(HYDROXYMETHYL)-2-METHOXYCYCLOHEX-2-EN-1-YLIDENE)SERINE
Systematic Name English
N-(3-((CARBOXYMETHYL)AMINO)-5-HYDROXY-5-(HYDROXYMETHYL)-2-METHOXY-2-CYCLOHEXEN-1-YLIDENE)-L-SERINE
Systematic Name English
SHINORINE [MI]
Common Name English
Code System Code Type Description
FDA UNII
CP6FF0KM7E
Created by admin on Sat Dec 16 13:39:55 GMT 2023 , Edited by admin on Sat Dec 16 13:39:55 GMT 2023
PRIMARY
MERCK INDEX
m11679
Created by admin on Sat Dec 16 13:39:55 GMT 2023 , Edited by admin on Sat Dec 16 13:39:55 GMT 2023
PRIMARY
CAS
73112-73-9
Created by admin on Sat Dec 16 13:39:55 GMT 2023 , Edited by admin on Sat Dec 16 13:39:55 GMT 2023
PRIMARY