Chemical Components in the PDB

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GRF : Summary

Code

GRF

One-letter code

X

Molecule name

5-O-phosphono-beta-D-ribofuranosylamine

Synonyms

5-O-phosphono-beta-D-ribosylamine
5-O-phosphono-D-ribosylamine
5-O-phosphono-ribosylamine

Systematic names

ProgramVersionName
ACDLabs 10.04 5-O-phosphono-beta-D-ribofuranosylamine
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C5 H12 N O7 P

Formal charge

0

Molecular weight

229.125 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC1OC(N)C(O)C1O
SMILES CACTVS 3.341 N[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(O1)N)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 N[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1

IUPAC InChI key

SKCBPEVYGOQGJN-TXICZTDVSA-N
GRF

wwPDB Information

Atom count

26 (14 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2005-06-16

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned