Chemical Components in the PDB

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IP8 : Summary

Code

IP8

One-letter code

X

Molecule name

Isopentenyl phosphate

Synonyms

3-methylbut-3-en-1-yl dihydrogen phosphate

Systematic names

ProgramVersionName
ACDLabs 12.01 3-methylbut-3-en-1-yl dihydrogen phosphate
OpenEye OEToolkits 1.7.6 3-methylbut-3-enyl dihydrogen phosphate

Formula

C5 H11 O4 P

Formal charge

0

Molecular weight

166.112 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(OCCC(=C)\C)(O)O
SMILES CACTVS 3.370 CC(=C)CCO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(=C)CCOP(=O)(O)O
Canonical SMILES CACTVS 3.370 CC(=C)CCO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=C)CCOP(=O)(O)O

IUPAC InChI

InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)

IUPAC InChI key

QMZRXYCCCYYMHF-UHFFFAOYSA-N
IP8

wwPDB Information

Atom count

21 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-10-21

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned