Chemical Components in the PDB

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ADM : Summary

Code

ADM

One-letter code

X

Molecule name

ADAMANTANE

Systematic names

ProgramVersionName
ACDLabs 10.04 tricyclo[3.3.1.1~3,7~]decane
OpenEye OEToolkits 1.5.0 adamantane

Formula

C10 H16

Formal charge

0

Molecular weight

136.234 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 C1C2CC3CC1CC(C2)C3
SMILES CACTVS 3.341 C1C2CC3CC1CC(C2)C3
SMILES OpenEye OEToolkits 1.5.0 C1C2CC3CC1CC(C2)C3
Canonical SMILES CACTVS 3.341 C1C2CC3CC1CC(C2)C3
Canonical SMILES OpenEye OEToolkits 1.5.0 C1C2CC3CC1CC(C2)C3

IUPAC InChI

InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+

IUPAC InChI key

ORILYTVJVMAKLC-YNFQOJQRSA-N
ADM

wwPDB Information

Atom count

26 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned