Chemical Components in the PDB

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FMP : Summary

Code

FMP

One-letter code

X

Molecule name

FORMYCIN-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-O-phosphono-D-ribitol
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5S)-5-(7-amino-1H-pyrazolo[5,4-e]pyrimidin-3-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C10 H14 N5 O7 P

Formal charge

0

Molecular weight

347.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OCC3OC(c2nnc1c2ncnc1N)C(O)C3O)(O)O
SMILES CACTVS 3.341 Nc1ncnc2c1[nH]nc2[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
SMILES OpenEye OEToolkits 1.5.0 c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.341 Nc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C10H14N5O7P/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(17)7(16)3(22-9)1-21-23(18,19)20/h2-3,7-9,16-17H,1H2,(H,14,15)(H2,11,12,13)(H2,18,19,20)/t3-,7-,8-,9+/m1/s1

IUPAC InChI key

PBAHXXBYQACZMA-KSYZLYKTSA-N
FMP

wwPDB Information

Atom count

37 (23 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