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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22N2O8
Molecular Weight 394.3759
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYLSEROTONIN GLUCURONIDE

SMILES

CC(=O)NCCC1=CNC2=C1C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2

InChI

InChIKey=DRKQFNYKSNWOTC-RNGZQALNSA-N
InChI=1S/C18H22N2O8/c1-8(21)19-5-4-9-7-20-12-3-2-10(6-11(9)12)27-18-15(24)13(22)14(23)16(28-18)17(25)26/h2-3,6-7,13-16,18,20,22-24H,4-5H2,1H3,(H,19,21)(H,25,26)/t13-,14-,15+,16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H22N2O8
Molecular Weight 394.3759
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:54:38 UTC 2023
Edited
by admin
on Sat Dec 16 16:54:38 UTC 2023
Record UNII
WUG64S3DC0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ACETYLSEROTONIN GLUCURONIDE
Common Name English
3-(2-(ACETYLAMINO)ETHYL)-1H-INDOL-5-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-(2-(ACETYLAMINO)ETHYL)-1H-INDOL-5-YL
Systematic Name English
Code System Code Type Description
PUBCHEM
29971054
Created by admin on Sat Dec 16 16:54:38 UTC 2023 , Edited by admin on Sat Dec 16 16:54:38 UTC 2023
PRIMARY
FDA UNII
WUG64S3DC0
Created by admin on Sat Dec 16 16:54:38 UTC 2023 , Edited by admin on Sat Dec 16 16:54:38 UTC 2023
PRIMARY
CAS
18430-06-3
Created by admin on Sat Dec 16 16:54:38 UTC 2023 , Edited by admin on Sat Dec 16 16:54:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE