BioLiP

PDB

BioLiP

PDB CCD ID:

VPV

Number of entries in BioLiP:

Chemical formula:

C13 H22 N2 O7

InChI:

InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9+/m1/s1

InChIKey:

SZZIBLQGBUJBOW-SFBSIPHCSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(=O)(O)C(N)CCCC/N=C(/C(O)=O)CC(CCC(=O)O)O
OpenEye OEToolkits 2.0.7	C(CC/N=C(\C[C@@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7	C(CCN=C(CC(CCC(=O)O)O)C(=O)O)CC(C(=O)O)N
CACTVS 3.385	N[C@@H](CCCCN=C(C[C@H](O)CCC(O)=O)C(O)=O)C(O)=O
CACTVS 3.385	N[CH](CCCCN=C(C[CH](O)CCC(O)=O)C(O)=O)C(O)=O

Name:

(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic 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).