Chemical Components in the PDB

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IMH : Summary

Code

IMH

One-letter code

X

Molecule name

1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL

Synonyms

Forodesine
Immucillin H

Systematic names

ProgramVersionName
ACDLabs 12.01 7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
OpenEye OEToolkits 2.0.7 7-[(2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Formula

C11 H14 N4 O4

Formal charge

0

Molecular weight

266.253 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1C(NC(CO)C1O)c1c[NH]c2c1N=CNC2=O
SMILES CACTVS 3.385 OC[CH]1N[CH]([CH](O)[CH]1O)c2c[nH]c3C(=O)NC=Nc23
SMILES OpenEye OEToolkits 2.0.7 c1c(c2c([nH]1)C(=O)NC=N2)C3C(C(C(N3)CO)O)O
Canonical SMILES CACTVS 3.385 OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c2c[nH]c3C(=O)NC=Nc23
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O

IUPAC InChI

InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1

IUPAC InChI key

IWKXDMQDITUYRK-KUBHLMPHSA-N
IMH

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

2022-09-26

Status

Released

Obsoleted

Not Assigned