CHEBI:176010 - Melatonin glucuronide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Melatonin glucuronide
ChEBI ID CHEBI:176010
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24N2O8
Net Charge 0
Average Mass 408.407
Monoisotopic Mass 408.15327
InChI InChI=1S/C19H24N2O8/c1-9(22)20-6-5-10-8-21(13-4-3-11(28-2)7-12(10)13)18-16(25)14(23)15(24)17(29-18)19(26)27/h3-4,7-8,14-18,23-25H,5-6H2,1-2H3,(H,20,22)(H,26,27)
InChIKey GXNGLFUTEZJKRQ-UHFFFAOYSA-N
SMILES O1C(N2C3=C(C(=C2)CCNC(=O)C)C=C(OC)C=C3)C(O)C(O)C(O)C1C(O)=O
ChEBI Ontology
Outgoing Melatonin glucuronide (CHEBI:176010) is a N-glycosyl compound (CHEBI:21731)
Melatonin glucuronide (CHEBI:176010) is a indoles (CHEBI:24828)
IUPAC Name
6-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
35031798 ChemSpider
HMDB0060830 HMDB
View more database links