BioLiP

PDB

BioLiP

PDB CCD ID:

6A0

Number of entries in BioLiP:

Chemical formula:

C8 H16 N2 O4

InChI:

InChI=1S/C8H16N2O4/c9-6(8(12)13)4-2-1-3-5-7(11)10-14/h6,14H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1

InChIKey:

RDQUMSJVLRPKKZ-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCCCC(=O)NO)C(O)=O
CACTVS 3.385	N[C@@H](CCCCCC(=O)NO)C(O)=O
OpenEye OEToolkits 2.0.4	C(CCC(C(=O)O)N)CCC(=O)NO
OpenEye OEToolkits 2.0.4	C(CC[C@@H](C(=O)O)N)CCC(=O)NO
ACDLabs 12.01	NC(C(O)=O)CCCCCC(NO)=O

Name:

(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid

ZINC:

ZINC000168694063

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).