Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

IMP : Summary

Code

IMP

One-letter code

G

Molecule name

INOSINIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 5'-inosinic acid
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C10 H13 N4 O8 P

Formal charge

0

Molecular weight

348.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O
SMILES CACTVS 3.385 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
SMILES OpenEye OEToolkits 1.7.5 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O
Canonical SMILES CACTVS 3.385 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
Canonical SMILES OpenEye OEToolkits 1.7.5 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O

IUPAC InChI

InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

IUPAC InChI key

GRSZFWQUAKGDAV-KQYNXXCUSA-N
IMP

wwPDB Information

Atom count

36 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

Yes

Standard parent

G

Defined at

1999-07-08

Last modified at

2012-01-05

Status

Released

Obsoleted

Not Assigned