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FURNA

PDB CCD ID: SAH
Number of entries in FURNA: 25
Chemical formula: C14 H20 N6 O5 S
InChI: InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES: N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O;
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N;
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O;
O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O;
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Name:S-ADENOSYL-L-HOMOCYSTEINE
ChEMBL: CHEMBL418052
DrugBank: DB01752
ZINC: ZINC000004228232
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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