BioLiP

PDB

BioLiP

PDB CCD ID:

Y77

Number of entries in BioLiP:

Chemical formula:

C6 H13 N3 O4 P

InChI:

InChI=1S/C6H13N3O4P/c1-6(2-4-8-9-7)3-5-13-14(10,11)12/h3,7H,2,4-5H2,1H3,(H2,10,11,12)/b6-3-

InChIKey:

SCRLLCVSAUXFQL-UTCJRWHESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C/C(=C/COP(=O)(O)O)/CCN=[N]=N
OpenEye OEToolkits 2.0.7	CC(=CCOP(=O)(O)O)CCN=[N]=N
CACTVS 3.385	C\C(CCN=[N]=N)=C\CO[P](O)(O)=O
CACTVS 3.385	CC(CCN=[N]=N)=CCO[P](O)(O)=O

Name:

[(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] 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).