Chemical Components in the PDB

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IGP : Summary

Code

IGP

One-letter code

X

Molecule name

INDOLE-3-GLYCEROL PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate

Formula

C11 H14 N O6 P

Formal charge

0

Molecular weight

287.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(O)C(O)c2c1ccccc1nc2
SMILES CACTVS 3.341 O[CH](CO[P](O)(O)=O)[CH](O)c1c[nH]c2ccccc12
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)C(C(COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.341 O[C@H](CO[P](O)(O)=O)[C@@H](O)c1c[nH]c2ccccc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1

IUPAC InChI key

NQEQTYPJSIEPHW-MNOVXSKESA-N
IGP

wwPDB Information

Atom count

33 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned