Dataset
Melatonin
Chemical Info
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) |
---|---|
SMILES | CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC |
InChI Key | DRLFMBDRBRZALE-UHFFFAOYSA-N |
Molecular Formula | C13H16N2O2 |
Exact Mass | 232.121 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00698 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:00.357214 |
MetadataModified | 2024-01-11T22:27:00.541491 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DB01065 | DrugBank |
C01598 | KEGG Ligand |
CHEMBL45 | ChEMBL |
1357 | Guide to Pharmacology |
16796 | ChEBI |
ML1 | PDBe |
224 | Guide to Pharmacology |
896 | PubChem |
60020807 | NMRShiftDB |
PD001629 | ProbesDrugs |
JL5DK93RCL | FDA SRS |
14773848 | PubChem: Thomson Pharma |
melatn | Recon |
73-31-4 | ACToR |
Melatonin | Selleck |
LSM-4779 | LINCS |
J5.258B | Nikkaji |
MCULE-1497884152 | Mcule |
SCHEMBL19018 | SureChEMBL |
melatonin | DailyMed |
CB5364927 | ChemicalBook |
16796 | Rhea |
171171 | Brenda |
MTBLC16796 | Metabolights |
PA164752558 | PharmGKB |
HMDB0001389 | Human Metabolome Database |
510958 | eMolecules |
56310582 | PubChem: Drugs of the Future |
1672 | DrugCentral |
MELATONIN | clinicaltrials |
ZINC000000057060 | ZINC |
CB32130993 | ChemicalBook |
CIRCADIN | clinicaltrials |
MELATONIN | rxnorm |
BCI-049 | clinicaltrials |
HY-B0075 | MedChemExpress |
30211 | Brenda |
1536 | Brenda |
MELATONIN | DailyMed |
DTXSID1022421 | EPA CompTox Dashboard |
9019 | BindingDB |
MELATN | CCDC |
The data in this table is sourced from UniChem at EBI. |