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N-Acetylpuromycin

AlkaPlorer ID: AK020856

Synonym: 'N-Acetylpuromycin'

IUPAC Name: 2-acetamido-N-[(2S,4R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide

Structure

SMILES: COC1=CC=C(CC(N=C(C)O)C(O)=NC2[C@@H](O)C(N3C=NC4=C(N(C)C)N=CN=C43)O[C@@H]2CO)C=C1

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InChI: InChI=1S/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)/t16?,17-,18?,20-,24?/m1/s1

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InChIKey: LADKVYSQIGJMFP-CKHJIVCFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces alboniger Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 513.5550000000003

TPSA？: 170.93999999999994

MolLogP？: 1.0643

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002324 CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC1[C@@H](CO)OC(n2cnc3c(N(C)C)ncnc32)[C@@H]1O.C[SAH]>>COc1ccc(CC(NC(C)=O)C(=O)NC2[C@@H](CO)OC(n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1 RXN-9452
AKRT011774 COc1ccc(CC(NC(C)=O)C(=O)NC2[C@@H](CO)OC(n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1>>CC(=O)O RXN-9453
AKRT011775 COc1ccc(CC(NC(C)=O)C(=O)NC2[C@@H](CO)OC(n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1>>COc1ccc(CC(N)C(=O)N[C@@H]2[C@H](O)[C@@H](n3cnc4c(N(C)C)ncnc43)O[C@H]2CO)cc1 RXN-9453