SEQ2FUN

BioLiP

PDB CCD ID: DPU
Number of entries in BioLiP: 1
Chemical formula: C10 H21 N2 O7 P
InChI: InChI=1S/C10H21N2O7P/c1-7(11)8(5-3-2-4-6-9(13)14)12-10(15)19-20(16,17)18/h7-8H,2-6,11H2,1H3,(H,12,15)(H,13,14)(H2,16,17,18)/t7-,8+/m0/s1
InChIKey: UJJZZEABROBUCE-JGVFFNPUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N
CACTVS 3.341C[CH](N)[CH](CCCCCC(O)=O)NC(=O)O[P](O)(O)=O
ACDLabs 10.04O=C(OP(=O)(O)O)NC(CCCCCC(=O)O)C(N)C
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N
CACTVS 3.341C[C@H](N)[C@@H](CCCCCC(O)=O)NC(=O)O[P](O)(O)=O
Name:MIXED CARBAMIC PHOSPHORIC ACID ANHYDRIDE OF 7,8-DIAMINONONANIC ACID
DrugBank: DB02927
ZINC: ZINC000002046974
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).