SEQ2FUN

BioLiP

PDB CCD ID: VET
Number of entries in BioLiP: 0
Chemical formula: C10 H17 N2 O8 P
InChI: InChI=1S/C10H17N2O8P/c1-10(16)8(14)11-9(15)12(10)6-2-5(7(13)3-6)4-20-21(17,18)19/h5-7,13,16H,2-4H2,1H3,(H,11,14,15)(H2,17,18,19)/t5-,6-,7+,10-/m1/s1
InChIKey: JDPZWPHNVBGYQC-QGOVLLJGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC1(C(=O)NC(=O)N1C2CC(C(C2)O)COP(=O)(O)O)O
CACTVS 3.352C[C@]1(O)N([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)C2)C(=O)NC1=O
OpenEye OEToolkits 1.6.1C[C@]1(C(=O)NC(=O)N1[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)O
CACTVS 3.352C[C]1(O)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2)C(=O)NC1=O
Name:[(1R,2S,4R)-2-HYDROXY-4-[(5R)-5-HYDROXY-5-METHYL-2,4-DIOXO-IMIDAZOLIDIN-1-YL]CYCLOPENTYL]METHYL DIHYDROGEN PHOSPHATE
ZINC: ZINC000098209523
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).