SEQ2FUN

BioLiP

PDB CCD ID: 52L
Number of entries in BioLiP: 7
Chemical formula: C7 H14 N O10 P
InChI: InChI=1S/C7H14NO10P/c9-4(1-3(8-14)7(12)13)6(11)5(10)2-18-19(15,16)17/h4-6,9-11,14H,1-2H2,(H,12,13)(H2,15,16,17)/b8-3+/t4-,5-,6+/m1/s1
InChIKey: KFGHSGKOOHKNEU-WVMCLEPLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(C(C(C(COP(=O)(O)O)O)O)O)C(=NO)C(=O)O
CACTVS 3.385ON=C(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C(O)=O
ACDLabs 12.01N(/O)=C(\C(O)=O)CC(C(O)C(COP(O)(O)=O)O)O
CACTVS 3.385O/N=C(C[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)/C(O)=O
OpenEye OEToolkits 1.9.2C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=N\O)/C(=O)O
Name:DAHP Oxime;
(2E,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxyimino)-7-(phosphonooxy)heptanoic acid
ZINC: ZINC000584905133
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).