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AAM : Summary

Code

AAM

One-letter code

X

Molecule name

ALPHA-ADENOSINE MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-6-amine
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5S)-5-(6-aminopurin-7-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(O)(O)OCC3OC(n2cnc1ncnc(N)c12)C(O)C3O
SMILES CACTVS 3.341 Nc1ncnc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c12
SMILES OpenEye OEToolkits 1.5.0 c1nc(c2c(n1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)N
Canonical SMILES CACTVS 3.341 Nc1ncnc2ncn([C@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1nc(c2c(n1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

IUPAC InChI

InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)14-3-15(5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10+/m1/s1

IUPAC InChI key

NVOIXARBSSLBAS-CRKDRTNXSA-N
AAM

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

2001-07-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned