Sinefungin; 4,5-Didehydro

AlkaPlorer ID: AK313579

Synonym: Dehydrosinefungin, A 9145C, Antibiotic A 9145C, C-Factor, SF 1306A, Antibiotic SF 1306A

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

Structure

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

copy

InChI: InChI=1S/C15H21N7O5/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/h3-7,10-11,14,23-24H,1-2,16-17H2,(H,25,26)(H2,18,19,20)/b8-3+

copy

InChIKey: YNKCTZQHSHSLNN-FPYGCLRLSA-N

copy

Reference

PubChem CID: 6438632

CAS: 66753-47-7

Properties Information

Molecule Weight: 379.377

TPSA: 208.64999999999992

MolLogP: -1.937599999999997

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