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FURNA


    View A1IJK at the PDB and FURNA database

PDB CCD ID: A1IJK
Number of entries in FURNA: 6
Chemical formula: C27 H27 N O8
InChI: InChI=1S/C27H27NO8/c1-15(29)14-35-10-2-9-28-26(32)16-3-6-19(27(33)34)22(11-16)25-20-7-4-17(30)12-23(20)36-24-13-18(31)5-8-21(24)25/h3-8,11,15,29,36H,2,9-10,12-14H2,1H3,(H,28,32)(H,33,34)/t15-/m1/s1
InChIKey: GVYCNBHUBWDBFF-OAHLLOKOSA-N
SMILES: CC(COCCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=O)CC3=[OH]C4=C2C=CC(=O)C4)C(=O)O)O;
C[C@H](COCCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=O)CC3=[OH]C4=C2C=CC(=O)C4)C(=O)O)O;
C[C@@H](O)COCCCNC(=O)c1ccc(C(O)=O)c(c1)c2c3C=CC(=O)Cc3[oH]c4CC(=O)C=Cc24;
C[CH](O)COCCCNC(=O)c1ccc(C(O)=O)c(c1)c2c3C=CC(=O)Cc3[oH]c4CC(=O)C=Cc24
Name:2-[3,6-bis(oxidanylidene)-4,5-dihydroxanthen-9-yl]-4-[3-[(2R)-2-oxidanylpropoxy]propylcarbamoyl]benzoic acid
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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