SEQ2FUN

BioLiP

PDB CCD ID: D5D
Number of entries in BioLiP: 0
Chemical formula: C10 H17 N2 O9 P
InChI: InChI=1S/C10H17N2O9P/c1-4(21-22(17,18)19)8-6(14)7(15)9(20-8)12-3-2-5(13)11-10(12)16/h4,6-9,14-15H,2-3H2,1H3,(H,11,13,16)(H2,17,18,19)/t4-,6-,7+,8+,9+/m0/s1
InChIKey: UTNZYCCMZBSWKD-IHMGDUAMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2CCC(=O)NC2=O)O)O)OP(=O)(O)O
CACTVS 3.385C[CH](O[P](O)(O)=O)[CH]1O[CH]([CH](O)[CH]1O)N2CCC(=O)NC2=O
OpenEye OEToolkits 2.0.7CC(C1C(C(C(O1)N2CCC(=O)NC2=O)O)O)OP(=O)(O)O
CACTVS 3.385C[C@H](O[P](O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CCC(=O)NC2=O
Name:[(1S)-1-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethyl] dihydrogen phosphate
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).