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FURNA

PDB CCD ID: XBI
Number of entries in FURNA: 2
Chemical formula: C21 H33 N O4
InChI: InChI=1S/C21H33NO4/c1-11-9-20(3,4)17-8-15(23)12(2)14(21(17,5)10-11)7-16(24)13-6-18(25)22-19(13)26/h11,13-17,23-24H,2,6-10H2,1,3-5H3,(H,22,25,26)/t11-,13+,14-,15-,16-,17-,21+/m0/s1
InChIKey: QJMIOMDKNQXZMN-LYGYNGHHSA-N
SMILES: C[C@@H]1C[C@]2([C@@H](C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)C(C1)(C)C)C;
CC1CC(C2CC(C(=C)C(C2(C1)C)CC(C3CC(=O)NC3=O)O)O)(C)C;
C[C@H]1CC(C)(C)[C@@H]2C[C@H](O)C(=C)[C@H](C[C@H](O)[C@H]3CC(=O)NC3=O)[C@@]2(C)C1;
C[CH]1CC(C)(C)[CH]2C[CH](O)C(=C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)[C]2(C)C1
Name:(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-5,5,7,8~{a}-tetramethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
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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