BioLiP

PDB

BioLiP

PDB CCD ID:

5OM

Number of entries in BioLiP:

Chemical formula:

C10 H19 N O5

InChI:

InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1

InChIKey:

UAOBJHWYYLJIHG-YUMQZZPRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	C1C(O1)C(CCCCCC(C(=O)O)N)(O)O
OpenEye OEToolkits 2.0.4	C1[C@H](O1)C(CCCCC[C@@H](C(=O)O)N)(O)O
ACDLabs 12.01	OC(CCCCCC(N)C(=O)O)(O)C1OC1
CACTVS 3.385	N[CH](CCCCCC(O)(O)[CH]1CO1)C(O)=O
CACTVS 3.385	N[C@@H](CCCCCC(O)(O)[C@@H]1CO1)C(O)=O

Name:

(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid

ZINC:

ZINC000584904930

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).