CHEBI:186843 - 1-Amino-3-hydroxymethyl-5-methyl-adamantane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 1-Amino-3-hydroxymethyl-5-methyl-adamantane
ChEBI ID CHEBI:186843
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H21NO
Net Charge 0
Average Mass 195.306
Monoisotopic Mass 195.16231
InChI InChI=1S/C12H21NO/c1-10-2-9-3-11(5-10,8-14)7-12(13,4-9)6-10/h9,14H,2-8,13H2,1H3
InChIKey YANGLOGEEOBUMT-UHFFFAOYSA-N
SMILES OCC12CC3(CC(N)(C1)CC(C2)C3)C
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 1-Amino-3-hydroxymethyl-5-methyl-adamantane (CHEBI:186843) is a primary alcohol (CHEBI:15734)
IUPAC Name
(3-amino-5-methyl-1-adamantyl)methanol
Manual Xrefs Databases
2126588 ChemSpider
HMDB0060703 HMDB
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