CHEBI:185944 - Glycyl-H-1152

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 Glycyl-H-1152
ChEBI ID CHEBI:185944
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H24N4O3S
Net Charge 0
Average Mass 376.480
Monoisotopic Mass 376.15691
InChI InChI=1S/C18H24N4O3S/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3/t14-/m0/s1
InChIKey CMKMGFAUKPAOMG-AWEZNQCLSA-N
SMILES S(=O)(=O)(N1[C@H](CN(CCC1)C(=O)CN)C)C=2C3=C(C=CC2)C=NC=C3C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Glycyl-H-1152 (CHEBI:185944) is a amino acid amide (CHEBI:22475)
IUPAC Name
2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinolin-5-yl)sulonyl-1,4-diazepan-1-yl]ethanone
Manual Xref Database
10149930 ChemSpider
View more database links