BioLiP

PDB

BioLiP

PDB CCD ID:

VHF

Number of entries in BioLiP:

Chemical formula:

C5 H10 N O7 P

InChI:

InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1

InChIKey:

PJRXVIJAERNUIP-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C(CC(=O)OP(=O)(O)O)C(C(=O)O)N
OpenEye OEToolkits 2.0.7	C(CC(=O)OP(=O)(O)O)[C@@H](C(=O)O)N
CACTVS 3.385	N[C@@H](CCC(=O)O[P](O)(O)=O)C(O)=O

Name:

(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid

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).