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melatonin

PropertiesImage
MNX_IDMNXM726720 Image of MNXM726720
referencechebi:16796
formulaC13H16N2O2
global charge0
mol weight232.283
InChIKeyDRLFMBDRBRZALE-UHFFFAOYSA-N
InChIInChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
SMILESCOC1=CC2=C(C=C1)NC=C2CCNC(C)=O
MNX internals
InChI (mnx)InChI=1/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) Image of MNXM726720
SMILES (mnx)[CH3:1][C:9](=[N:14][CH2:6][CH2:5][C:10]1=[CH:8][NH:15][C:13]2=[C:12]1[CH:7]=[C:11]([O:17][CH3:2])[CH:3]=[CH:4]2)[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)22
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-209934
reactomeM:R-ALL-209934
reactome:R-ALL-419339
reactomeM:R-ALL-419339
CHEBI:16796
chebi:16796
DRLFMBDRBRZALE-UHFFFAOYSA-N 		melatonin
5-methoxy-N-acetyltryptamine
Melatonin
N-Acetyl-5-methoxytryptamine
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
N-[2-(5-methoxyindol-3-yl)ethyl]acetamide
melatonine

bigg.metabolite:melatn
biggM:melatn
DRLFMBDRBRZALE-UHFFFAOYSA-N 		Melatn c

kegg.drug:D08170
keggD:D08170
DRLFMBDRBRZALE-UHFFFAOYSA-N 		Melatonin (JAN)
Melatobel (TN)
Melatonina (TN)
hmdb:HMDB0001389
DRLFMBDRBRZALE-UHFFFAOYSA-N 		Melatonin
3-(2-Acetamidoethyl)-5-methoxyindole
5-Methoxy-N-acetyltryptamine
Circadin
MT6
Melatol
Melatonin (synth.) standard-grade
Melatonin (synth.) ultra-pure
Melatonina
Melatonine
Melovine
N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide
N-(2-(5-Methoxyindol-3-yl)ethyl)-acetamide
N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide
N-Acetyl-5-methoxy-tryptamine
N-Acetyl-5-methoxy-tryptamine melatonine
N-Acetyl-5-methoxytryptamine
N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide
N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-acetamide
N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide
N-[2-(5-Methoxyindol-3-yl)ethyl]-acetamide
N-[2-(5-Methoxyindol-3-yl)ethyl]acetamide
Regulin
{N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} acetamide
{N-[2-(5-methoxyindol-3-yl)ethyl]-} acetamide

seed.compound:cpd01124
seedM:cpd01124
DRLFMBDRBRZALE-UHFFFAOYSA-N 		Melatonin
5-methoxy-N-acetyltryptamine
N-Acetyl-5-methoxytryptamine
N-[2-(5-methoxyindol-3-yl)ethyl]acetamide
N-acetyl-5-methoxy-tryptamine
melatonin

sabiork.compound:5689
sabiorkM:5689
kegg.compound:C01598
keggC:C01598
DRLFMBDRBRZALE-UHFFFAOYSA-N 		Melatonin
N-Acetyl-5-methoxytryptamine

envipath:...d69ec1bf3f26
envipathM:...d69ec1bf3f26
DRLFMBDRBRZALE-UHFFFAOYSA-N 		compound 0226146

metacyc.compound:N-ACETYL-5-METHOXY-TRYPTAMINE
metacycM:N-ACETYL-5-METHOXY-TRYPTAMINE
DRLFMBDRBRZALE-UHFFFAOYSA-N 		melatonin
5-methoxy-N-acetyltryptamine
N-[2-(5-methoxyindol-3-yl)ethyl]acetamide
N-acetyl-5-methoxy-tryptamine

vmhM:melatn
vmhmetabolite:melatn
DRLFMBDRBRZALE-UHFFFAOYSA-N 		melatonin
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

hmdb:HMDB01389
chebi:14577
chebi:25180
chebi:6730
biggM:M_melatn
keggC:M_C01598
keggD:M_D08170
seedM:M_cpd01124
vmhM:M_melatn 		secondary/obsolete/fantasy identifier