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FURNA

PDB CCD ID: V4J
Number of entries in FURNA: 2
Chemical formula: C18 H32 N2 O5 S
InChI: InChI=1S/C18H32N2O5S/c1-2-13(21)6-5-9-24-10-11-25-16(22)8-4-3-7-15-17-14(12-26-15)19-18(23)20-17/h13-15,17,21H,2-12H2,1H3,(H2,19,20,23)/t13-,14+,15+,17+/m1/s1
InChIKey: XPLYDBRQTYFSEO-AESZEHBQSA-N
SMILES: C(CCC(OCCOCCCC(CC)O)=O)CC1C2C(CS1)NC(N2)=O;
CCC(CCCOCCOC(=O)CCCCC1C2C(CS1)NC(=O)N2)O;
CC[CH](O)CCCOCCOC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12;
CC[C@@H](O)CCCOCCOC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12;
CC[C@H](CCCOCCOC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O
Name:2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate

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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