Chemical Components in the PDB

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L4H : Summary

Code

L4H

One-letter code

X

Molecule name

farnesyl dihydroxybenzoate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3,4-bis(oxidanyl)-5-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid

Formula

C22 H30 O4

Formal charge

0

Molecular weight

358.471 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(=CCCC(=CCCC(=CCc1cc(cc(c1O)O)C(=O)O)C)C)C
Canonical SMILES CACTVS 3.385 CC(C)=CCC\C(C)=C\CCC(/C)=C/Cc1cc(cc(O)c1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=CCC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)C

IUPAC InChI

InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9+,17-11+

IUPAC InChI key

VWHKYMBCXCSQEZ-BTMZFSHUSA-N
L4H

wwPDB Information

Atom count

56 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-19

Last modified at

2020-07-10

Status

Released

Obsoleted

Not Assigned