Chemical Components in the PDB

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TMH : Summary

Code

TMH

One-letter code

X

Molecule name

(+)-alpha-Pinene

Synonyms

(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE

Systematic names

ProgramVersionName
ACDLabs 12.01 (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
OpenEye OEToolkits 1.7.6 (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene

Formula

C10 H16

Formal charge

0

Molecular weight

136.234 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1(=CCC2CC1C2(C)C)C
SMILES CACTVS 3.385 CC1=CC[CH]2C[CH]1C2(C)C
SMILES OpenEye OEToolkits 1.7.6 CC1=CCC2CC1C2(C)C
Canonical SMILES CACTVS 3.385 CC1=CC[C@@H]2C[C@H]1C2(C)C
Canonical SMILES OpenEye OEToolkits 1.7.6 CC1=CC[C@@H]2C[C@H]1C2(C)C

IUPAC InChI

InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1

IUPAC InChI key

GRWFGVWFFZKLTI-RKDXNWHRSA-N
TMH

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

2002-09-26

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned