BioLiP

PDB

BioLiP

PDB CCD ID:

SUJ

Number of entries in BioLiP:

Chemical formula:

C9 H16 N2 O5

InChI:

InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1

InChIKey:

ODVCESWVBOFPFP-UCROKIRRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@H]([C@@H](C(=O)O)N1[C@@H](CC[C@@H](C1=O)N)O)O
CACTVS 3.341	C[C@@H](O)[C@H](N1[C@H](O)CC[C@H](N)C1=O)C(O)=O
OpenEye OEToolkits 1.5.0	CC(C(C(=O)O)N1C(CCC(C1=O)N)O)O
CACTVS 3.341	C[CH](O)[CH](N1[CH](O)CC[CH](N)C1=O)C(O)=O
ACDLabs 10.04	O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C

Name:

(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID

ZINC:

ZINC000058649763

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).