Chemical Components in the PDB

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CAM : Summary

Code

CAM

One-letter code

X

Molecule name

CAMPHOR

Systematic names

ProgramVersionName
ACDLabs 10.04 (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
OpenEye OEToolkits 1.5.0 (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-one

Formula

C10 H16 O

Formal charge

0

Molecular weight

152.233 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1CC2CCC1(C)C2(C)C
SMILES CACTVS 3.341 CC1(C)[CH]2CC[C]1(C)C(=O)C2
SMILES OpenEye OEToolkits 1.5.0 CC1(C2CCC1(C(=O)C2)C)C
Canonical SMILES CACTVS 3.341 CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
Canonical SMILES OpenEye OEToolkits 1.5.0 CC1([C@@H]2CC[C@]1(C(=O)C2)C)C

IUPAC InChI

InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1

IUPAC InChI key

DSSYKIVIOFKYAU-XCBNKYQSSA-N
CAM

wwPDB Information

Atom count

27 (11 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