SEQ2FUN

BioLiP

PDB CCD ID: A1LZ3
Number of entries in BioLiP: 0
Chemical formula: C14 H25 N5 O8 P
InChI: InChI=1S/C14H25N5O8P/c15-9-4-6-19(14(18-9)17-5-2-1-3-10(16)20)13-12(22)11(21)8(27-13)7-26-28(23,24)25/h4,6,8,11-13,21-22H,1-3,5,7H2,(H2,16,20)(H3,15,17,18)(H2,23,24,25)/p+1/t8-,11-,12-,13-/m1/s1
InChIKey: SABJJGCQRBWSOB-HUXSOILUSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cc[n]([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c(NCCCCC([NH2+])=O)n1
CACTVS 3.385Nc1cc[n]([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c(NCCCCC([NH2+])=O)n1
OpenEye OEToolkits 2.0.7C1=C(N=C([N](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)NCCCCC(=O)[NH2+])N
OpenEye OEToolkits 2.0.7C1=C(N=C([N](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NCCCCC(=O)[NH2+])N
Name:[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-[(5-azanyl-5-oxidanylidene-pentyl)amino]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphite
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).