Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

QTE

Summary
Name:methylcyclohexane
Formula:C7 H14
Formal charge:0
Formula weight:98.186 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methylcyclohexane

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyInChI1.03UAEPNZWRGJTJPN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1CCCCC1
SMILESCACTVS3.385CC1CCCCC1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1CCCCC1
SMILESOpenEye OEToolkits2.0.7CC1CCCCC1

225946

数据于2024-10-09公开中

PDB statisticsPDBj update infoContact PDBjnumon