Sinefungin

AlkaPlorer ID: AK313577

Synonym: A 9145, RP 32232, Antibiotic A 9145, Antibiotic RP 32232, Lilly 57926

IUPAC Name: 2,5-diamino-6-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid

Structure

SMILES: NC1=C2N=CN(C3OC(CC(N)CCC(N)C(=O)O)C(O)C3O)C2=NC=N1

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InChI: InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)

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InChIKey: LMXOHSDXUQEUSF-UHFFFAOYSA-N

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Reference

PubChem CID: 4065234

CAS: 58944-73-3

COCONUT: CNP0130525.7

Properties Information

Molecule Weight: 381.393

TPSA: 208.64999999999992

MolLogP: -2.062799999999997

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information