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BioLiP

PDB CCD ID: S8U
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N O7 P
InChI: InChI=1S/C10H14NO7P/c12-5-7-2-1-3-11(7)10-4-8(13)9(18-10)6-17-19(14,15)16/h1-3,5,8-10,13H,4,6H2,(H2,14,15,16)/t8-,9+,10+/m0/s1
InChIKey: YMLCJIMQBIRZRA-IVZWLZJFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(n(c1)C2CC(C(O2)COP(=O)(O)O)O)C=O
CACTVS 3.385O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cccc2C=O
ACDLabs 12.01O=P(O)(O)OCC1OC(CC1O)n1cccc1C=O
CACTVS 3.385O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cccc2C=O
OpenEye OEToolkits 2.0.7c1cc(n(c1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C=O
Name:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrrole-2-carbaldehyde
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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