BioLiP

PDB

BioLiP

PDB CCD ID:

MY0

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O6

InChI:

InChI=1S/C6H10N2O6/c7-8(2-5(11)12)4(10)1-3(9)6(13)14/h3,9H,1-2,7H2,(H,11,12)(H,13,14)/t3-/m0/s1

InChIKey:

HVEULRKNJMQVQC-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(C(C(=O)O)O)C(=O)N(CC(=O)O)N
ACDLabs 12.01	O=C(N(N)CC(=O)O)CC(O)C(=O)O
OpenEye OEToolkits 1.7.0	C([C@@H](C(=O)O)O)C(=O)N(CC(=O)O)N
CACTVS 3.370	NN(CC(O)=O)C(=O)C[C@H](O)C(O)=O
CACTVS 3.370	NN(CC(O)=O)C(=O)C[CH](O)C(O)=O

Name:

(2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid

ZINC:

ZINC000098209194

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).