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- ChemComp-AAM: ALPHA-ADENOSINE MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: AAM
NameName: alpha-adenosine monophosphate

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Chemical information

Composition
Formula: C10H14N5O7P / Number of atoms: 37 / Formula weight: 347.221 / Formal charge: 0
Others

1jha

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AAM / Model coordinates PDB-ID: 1JHA
History
Create componentJul 3, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1ncnc(N)c12)C(O)C3O
CACTVS 3.341Nc1ncnc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c12
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)N

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SMILES CANONICAL

CACTVS 3.341Nc1ncnc2ncn([C@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c12
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03NVOIXARBSSLBAS-CRKDRTNXSA-N

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SYSTEMATIC NAME

ACDLabs 10.047-(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

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PDB entries

Showing all 2 items

PDB-1jha:
Structural Investigation of the Biosynthesis of Alternative Lower Ligands for Cobamides by Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase (CobT) from Salmonella enterica

PDB-6pt8:
Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid

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