Search MNXref
 Feedback

N-Acetylserotonin glucuronide

MNXM587365 is deprecated and here replaced by MNXM738505
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738505 Image of MNXM738505
referencechebi:166586
formulaC18H22N2O8
global charge0
mol weight394.38
InChIKeyDRKQFNYKSNWOTC-RNGZQALNSA-N
InChIInChI=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
SMILESCC(=O)NCCC1=CNC2=C1C=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C=C2
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM738505
SMILES (mnx)[CH3:1][C:8](=[N:19][CH2:5][CH2:4][C:9]1=[CH:7][NH:20][C:12]2=[C:11]1[CH:6]=[C:10]([O:27][C@H:18]1[C@H:15]([OH:24])[C@@H:13]([OH:22])[C@H:14]([OH:23])[C@@H:16]([C:17](=[O:25])[OH:26])[O:28]1)[CH:2]=[CH:3]2)[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166586
chebi:166586
DRKQFNYKSNWOTC-RNGZQALNSA-N 		N-Acetylserotonin glucuronide
(2S,3S,4S,5R,6S)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0060833
DRKQFNYKSNWOTC-RNGZQALNSA-N 		N-Acetylserotonin glucuronide
6-{[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

seed.compound:cpd23192
seedM:cpd23192
DRKQFNYKSNWOTC-RNGZQALNSA-M 		N-acetyl-5-hydroxytryptamine glucuronide
N-acetyl-serotonin glucuronide

metacyc.compound:CPD-12016
metacycM:CPD-12016
DRKQFNYKSNWOTC-RNGZQALNSA-M 		N-acetyl-serotonin glucuronide
N-acetyl-5-hydroxytryptamine glucuronide

hmdb:HMDB60833
seedM:M_cpd23192 		secondary/obsolete/fantasy identifier