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Dolichotheline

PropertiesImage
MNX_IDMNXM11436 Image of MNXM11436
referencechebi:80664
formulaC10H17N3O
global charge0
mol weight195.266
InChIKeyIYVCRLBHSDTDKL-UHFFFAOYSA-N
InChIInChI=1S/C10H17N3O/c1-8(2)5-10(14)12-4-3-9-6-11-7-13-9/h6-8H,3-5H2,1-2H3,(H,11,13)(H,12,14)
SMILESCC(C)CC(=O)NCCC1=CNC=N1
MNX internals
InChI (mnx)InChI=1/C10H17N3O/c1-8(2)5-10(14)12-4-3-9-6-11-7-13-9/h6-8H,3-5H2,1-2H3,(H,11,13)(H,12,14) Image of MNXM11436
SMILES (mnx)[CH3:1][CH:8]([CH3:2])[CH2:5][C:10](=[N:12][CH2:4][CH2:3][C:9]1=[CH:6][N:11]=[CH:7][NH:13]1)[OH:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd16504
seedM:cpd16504
CHEBI:80664
chebi:80664
kegg.compound:C16696
keggC:C16696
IYVCRLBHSDTDKL-UHFFFAOYSA-N
Dolichotheline

keggC:M_C16696
seedM:M_cpd16504
secondary/obsolete/fantasy identifier