Chemical Components in the PDB

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FAI : Summary

Code

FAI

One-letter code

N

Molecule name

5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide

Systematic names

ProgramVersionName
ACDLabs 10.04 5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5R)-5-(4-aminocarbonyl-5-formamido-imidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C10 H15 N4 O9 P

Formal charge

0

Molecular weight

366.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CNc1c(ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N
SMILES CACTVS 3.341 NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1NC=O
SMILES OpenEye OEToolkits 1.5.0 c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=O)C(=O)N
Canonical SMILES CACTVS 3.341 NC(=O)c1ncn([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c1NC=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N

IUPAC InChI

InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1

IUPAC InChI key

ABCOOORLYAOBOZ-KQYNXXCUSA-N
FAI

wwPDB Information

Atom count

39 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

Not Assigned

Defined at

2007-09-12

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned