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FURNA

PDB CCD ID: SY5
Number of entries in FURNA: 2
Chemical formula: C12 H27 N5 O4
InChI: InChI=1S/C12H27N5O4/c1-17(8-12(20)21)16-11(19)6-9(14)5-10(18)7-15-4-2-3-13/h9-10,15,18H,2-8,13-14H2,1H3,(H,16,19)(H,20,21)/t9-,10-/m1/s1
InChIKey: VBFFWDLIKBQABV-NXEZZACHSA-N
SMILES: CN(CC(=O)O)NC(=O)CC(CC(CNCCCN)O)N;
CN(CC(=O)O)NC(=O)C[C@@H](C[C@H](CNCCCN)O)N;
CN(CC(O)=O)NC(=O)C[CH](N)C[CH](O)CNCCCN;
CN(CC(O)=O)NC(=O)C[C@H](N)C[C@@H](O)CNCCCN
Name:2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid;
N6-(3-aminopropyl)-negamycin
ChEMBL: CHEMBL3621799
ZINC: ZINC000473123282
Reference:
  • Chengxin Zhang, P. Lydia Freddolino (2023) FURNA: a database for function annotations of RNA structures, bioRxiv 2023.12.19.572314.

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