Preferred Name

melatonin

Synonyms

Melatonin

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

melatonin

5-methoxy-N-acetyltryptamine

N-[2-(5-methoxyindol-3-yl)ethyl]acetamide

melatonine

N-Acetyl-5-methoxytryptamine

Definitions

A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans.

ID

http://purl.obolibrary.org/obo/CHEBI_16796

charge

0

database_cross_reference

KEGG:C01598

PMID:18212404

DrugBank:DB01065

PMID:8290600

PMID:16678784

CAS:73-31-4

Beilstein:205542

Reaxys:205542

PMID:18485664

MetaCyc:N-ACETYL-5-METHOXY-TRYPTAMINE

PDBeChem:ML1

KEGG:D08170

Drug_Central:1672

LINCS:LSM-4779

HMDB:HMDB0001389

Wikipedia:Melatonin

definition

A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans.

formula

C13H16N2O2

has functional parent

http://purl.obolibrary.org/obo/CHEBI_16765

has role

http://purl.obolibrary.org/obo/CHEBI_176497

http://purl.obolibrary.org/obo/CHEBI_50847

http://purl.obolibrary.org/obo/CHEBI_77746

http://purl.obolibrary.org/obo/CHEBI_35488

http://purl.obolibrary.org/obo/CHEBI_75771

http://purl.obolibrary.org/obo/CHEBI_24621

http://purl.obolibrary.org/obo/CHEBI_35623

http://purl.obolibrary.org/obo/CHEBI_48578

has_alternative_id

CHEBI:14577

CHEBI:6730

CHEBI:25180

has_exact_synonym

Melatonin

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

melatonin

has_obo_namespace

chebi_ontology

has_related_synonym

5-methoxy-N-acetyltryptamine

N-[2-(5-methoxyindol-3-yl)ethyl]acetamide

melatonine

N-Acetyl-5-methoxytryptamine

id

CHEBI:16796

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=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)

inchikey

DRLFMBDRBRZALE-UHFFFAOYSA-N

label

melatonin

mass

232.283

monoisotopicmass

232.12118

notation

CHEBI:16796

prefLabel

melatonin

smiles

C=1C=C(C=C2C(=CNC12)CCNC(=O)C)OC

treeView

http://purl.obolibrary.org/obo/CHEBI_27162

http://purl.obolibrary.org/obo/CHEBI_22160

subClassOf

http://purl.obolibrary.org/obo/CHEBI_27162

http://purl.obolibrary.org/obo/CHEBI_22160

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