Chemical Components in the PDB

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9GB : Summary

Code

9GB

One-letter code

X

Molecule name

[(~{E})-3-methylhex-2-enyl] dihydrogen phosphate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [(~{E})-3-methylhex-2-enyl] dihydrogen phosphate

Formula

C7 H15 O4 P

Formal charge

0

Molecular weight

194.165 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCC(C)=CCO[P](O)(O)=O
SMILES OpenEye OEToolkits 2.0.6 CCCC(=CCOP(=O)(O)O)C
Canonical SMILES CACTVS 3.385 CCCC(/C)=C/CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CCC/C(=C/COP(=O)(O)O)/C

IUPAC InChI

InChI=1S/C7H15O4P/c1-3-4-7(2)5-6-11-12(8,9)10/h5H,3-4,6H2,1-2H3,(H2,8,9,10)/b7-5+

IUPAC InChI key

QFTXOINSFIOLQI-FNORWQNLSA-N
9GB

wwPDB Information

Atom count

27 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-05-18

Last modified at

2017-11-10

Status

Released

Obsoleted

Not Assigned