loading...| Preferred Name | melatonin | |
| Synonyms |
N-Acetyl-5-methoxytryptamine N-[2-(5-methoxyindol-3-yl)ethyl]acetamide 5-methoxy-N-acetyltryptamine melatonine N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide Melatonin melatonin |
|
| 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 |
|
| alternative term |
N-Acetyl-5-methoxytryptamine N-[2-(5-methoxyindol-3-yl)ethyl]acetamide 5-methoxy-N-acetyltryptamine melatonine N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide Melatonin melatonin |
|
| bearer of |
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_75771 http://purl.obolibrary.org/obo/CHEBI_24621 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:1672 HMDB:HMDB0001389 Wikipedia:Melatonin PMID:8290600 PMID:18485664 Reaxys:205542 KEGG:D08170 PDBeChem:ML1 KEGG:C01598 PMID:16678784 MetaCyc:N-ACETYL-5-METHOXY-TRYPTAMINE DrugBank:DB01065 Beilstein:205542 LINCS:LSM-4779 PMID:18212404 CAS:73-31-4 |
|
| 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_alternative_id |
CHEBI:25180 CHEBI:14577 CHEBI:6730 |
|
| has_exact_synonym |
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide Melatonin melatonin |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
N-Acetyl-5-methoxytryptamine N-[2-(5-methoxyindol-3-yl)ethyl]acetamide 5-methoxy-N-acetyltryptamine melatonine |
|
| id |
CHEBI:16796 |
|
| in_subset | ||
| 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 |
|
| RO_0000087 |
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_75771 http://purl.obolibrary.org/obo/CHEBI_24621 |
|
| smiles |
C=1C=C(C=C2C(=CNC12)CCNC(=O)C)OC |
|
| subClassOf |