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FURNA

PDB CCD ID: TPS
Number of entries in FURNA: 1
Chemical formula: C12 H18 N4 O4 P S
InChI: InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1
InChIKey: HZSAJDVWZRBGIF-UHFFFAOYSA-O
SMILES: Cc1ncc(C[n+]2csc(CCO[P](O)(O)=O)c2C)c(N)n1;
Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O;
O=P(O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N
Name:THIAMIN PHOSPHATE
ChEMBL: CHEMBL1236378
ZINC: ZINC000001532839
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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