Chemical Components in the PDB

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ARP : Summary

Code

ARP

One-letter code

X

Molecule name

9-HYDROXYPROPYLADENINE, R-ISOMER

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-1-(6-amino-9H-purin-9-yl)propan-2-ol
OpenEye OEToolkits 1.5.0 (2R)-1-(6-aminopurin-9-yl)propan-2-ol

Formula

C8 H11 N5 O

Formal charge

0

Molecular weight

193.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(c2ncn(c2nc1)CC(O)C)N
SMILES CACTVS 3.341 C[CH](O)Cn1cnc2c(N)ncnc12
SMILES OpenEye OEToolkits 1.5.0 CC(Cn1cnc2c1ncnc2N)O
Canonical SMILES CACTVS 3.341 C[C@@H](O)Cn1cnc2c(N)ncnc12
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H](Cn1cnc2c1ncnc2N)O

IUPAC InChI

InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1

IUPAC InChI key

MJZYTEBKXLVLMY-RXMQYKEDSA-N
ARP

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-05-24

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned