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BioLiP

PDB CCD ID: SDH
Number of entries in BioLiP: 0
Chemical formula: C10 H16 N5 O9 P
InChI: InChI=1S/C10H16N5O9P/c11-8-12-6(17)10(14-8)7(18)13-9(19)15(10)5-1-3(16)4(24-5)2-23-25(20,21)22/h3-5,16,20-22,25H,1-2H2,(H,13,18,19)(H3,11,12,14,17)/t3-,4+,5+,10+/m0/s1
InChIKey: BTPRAWLYZNCXOI-XPCBYELVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(O)(O)O)O
CACTVS 3.385NC1=NC(=O)[C]2(N1)N([CH]3C[CH](O)[CH](CO[PH](O)(O)O)O3)C(=O)NC2=O
CACTVS 3.385NC1=NC(=O)[C@@]2(N1)N([C@H]3C[C@H](O)[C@@H](CO[PH](O)(O)O)O3)C(=O)NC2=O
OpenEye OEToolkits 1.7.6C1C(C(OC1N2C(=O)NC(=O)C23C(=O)N=C(N3)N)COP(O)(O)O)O
ACDLabs 12.01O=C2NC(=O)N(C21NC(=NC1=O)N)C3OC(C(O)C3)COP(O)(O)O
Name:(5S)-7-amino-1-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione
ZINC: ZINC000098209395
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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