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6-sulfatoxymelatonin

PropertiesImage
MNX_IDMNXM15003 Image of MNXM15003
referencechebi:185936
formulaC13H16N2O6S
global charge0
mol weight328.346
InChIKeyQQEILXDLZRLTME-UHFFFAOYSA-N
InChIInChI=1S/C13H16N2O6S/c1-8(16)14-4-3-9-7-15-11-6-13(21-22(17,18)19)12(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,16)(H,17,18,19)
SMILESCOC1=CC2=C(C=C1OS(=O)(=O)O)NC=C2CCNC(C)=O
MNX internals
InChI (mnx)InChI=1/C13H16N2O6S/c1-8(16)14-4-3-9-7-15-11-6-13(21-22(17,18)19)12(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,16)(H,17,18,19) Image of MNXM15003
SMILES (mnx)[CH3:1][C:8](=[N:14][CH2:4][CH2:3][C:9]1=[CH:7][NH:15][C:11]2=[CH:6][C:13]([O:21][S:22]([OH:17])(=[O:18])=[O:19])=[C:12]([O:20][CH3:2])[CH:5]=[C:10]12)[OH:16]
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:185936
chebi:185936
QQEILXDLZRLTME-UHFFFAOYSA-N 		6-sulfatoxymelatonin
[3-(2-acetamidoethyl)-5-methoxy-1H-indol-6-yl] hydrogen sulate
hmdb:HMDB0041815
QQEILXDLZRLTME-UHFFFAOYSA-N 		6-Sulfatoxymelatonin
6-Hydroxymelatonin sulfate ester
6-Hydroxymelatoninsulfate
6-Sulfatoxymelatonin, monosodium salt
6-Sulphatoxy melatonin
6-Sulphatoxymelatonin
N-{2-[5-methoxy-6-(sulfooxy)-1H-indol-3-yl]ethyl}ethanimidate
N-{2-[5-methoxy-6-(sulfooxy)-1H-indol-3-yl]ethyl}ethanimidic acid
N-{2-[5-methoxy-6-(sulphooxy)-1H-indol-3-yl]ethyl}ethanimidate
N-{2-[5-methoxy-6-(sulphooxy)-1H-indol-3-yl]ethyl}ethanimidic acid

seed.compound:cpd23191
seedM:cpd23191
QQEILXDLZRLTME-UHFFFAOYSA-M 		6-hydroxymelatonin sulfate ester
6-hydroxymelatoninsulfate
6-sulfatoxymelatonin
6-sulphatoxymelatonin
acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-

metacyc.compound:CPD-12015
metacycM:CPD-12015
QQEILXDLZRLTME-UHFFFAOYSA-M 		6-sulfatoxymelatonin
6-hydroxymelatonin sulfate ester
6-hydroxymelatoninsulfate
6-sulphatoxymelatonin
acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-

hmdb:HMDB41815
seedM:M_cpd23191 		secondary/obsolete/fantasy identifier