Chemical Components in the PDB

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IPL : Summary

Code

IPL

One-letter code

X

Molecule name

INDOLE-3-PROPANOL PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(1H-indol-3-yl)propyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 3-(1H-indol-3-yl)propyl dihydrogen phosphate

Formula

C11 H14 N O4 P

Formal charge

0

Molecular weight

255.207 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCCCc2c1ccccc1nc2
SMILES CACTVS 3.341 O[P](O)(=O)OCCCc1c[nH]c2ccccc12
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O
Canonical SMILES CACTVS 3.341 O[P](O)(=O)OCCCc1c[nH]c2ccccc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O

IUPAC InChI

InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)

IUPAC InChI key

NKEZSFZOUIIZFL-UHFFFAOYSA-N
IPL

wwPDB Information

Atom count

31 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-06-30

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned