BioLiP

PDB

BioLiP

PDB CCD ID:

Y2Y

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O5

InChI:

InChI=1S/C7H13NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1

InChIKey:

XBEFTDYWKMUVOR-CRCLSJGQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CC(=O)O)C(C(CC(=O)O)N)O
CACTVS 3.385	N[CH](CC(O)=O)[CH](O)CCC(O)=O
ACDLabs 12.01	NC(CC(O)=O)C(CCC(=O)O)O
OpenEye OEToolkits 2.0.7	C(CC(=O)O)[C@H]([C@H](CC(=O)O)N)O
CACTVS 3.385	N[C@@H](CC(O)=O)[C@H](O)CCC(O)=O

Name:

(3S,4R)-3-amino-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).