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6-sulfatoxymelatonin

Properties

Image

Occurences in reactions

MNX_ID

MNXM15003

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₃H₁₅N₂O₆S

charge

-1

mass

327.06563

reference

InChIKey

QQEILXDLZRLTME-UHFFFAOYSA-M

InChI

InChI=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)/p-1

SMILES

COc1cc2c(CCNC(C)=O)c[nH]c2cc1OS(=O)(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-12015 metacycM:CPD-12015	6-sulfatoxymelatonin 6-hydroxymelatonin sulfate ester 6-hydroxymelatoninsulfate 6-sulphatoxymelatonin acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-
hmdb:HMDB0041815	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	6-hydroxymelatonin sulfate ester 6-hydroxymelatoninsulfate 6-sulfatoxymelatonin 6-sulphatoxymelatonin acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-
hmdb:HMDB41815 seedM:M_cpd23191	secondary/obsolete/fantasy identifier