BioLiP

PDB

BioLiP

PDB CCD ID:

N10

Number of entries in BioLiP:

Chemical formula:

C10 H20 N2 O4

InChI:

InChI=1S/C10H20N2O4/c1-2-3-4-5-6-12-10(15)16-7-8(11)9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1

InChIKey:

XOZLSURLRCSCTN-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCNC(=O)OCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	CCCCCCNC(=O)OC[C@@H](C(=O)O)N
CACTVS 3.341	CCCCCCNC(=O)OC[C@H](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)COC(=O)NCCCCCC
CACTVS 3.341	CCCCCCNC(=O)OC[CH](N)C(O)=O

Name:

O-[(HEXYLAMINO)CARBONYL]-L-SERINE

ZINC:

ZINC000058650987

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).