BioLiP

PDB

BioLiP

PDB CCD ID:

C0O

Number of entries in BioLiP:

Chemical formula:

C7 H12 N2 O4

InChI:

InChI=1S/C7H12N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h1-2,4-5H,3,8-9H2,(H,10,11)(H,12,13)/b2-1-/t4-,5+/m1/s1

InChIKey:

PYWMQEZFWCITLG-SHXURVFISA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](C\C=C/[C@@H](N)C(O)=O)C(O)=O
CACTVS 3.385	N[CH](CC=C[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	C(C=CC(C(=O)O)N)C(C(=O)O)N
OpenEye OEToolkits 2.0.6	C(/C=C\[C@H](C(=O)O)N)[C@@H](C(=O)O)N

Name:

(~{Z},2~{R},6~{S})-2,6-bis(azanyl)hept-3-enedioic 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).