BioLiP

PDB

BioLiP

PDB CCD ID:

DHH

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O4

InChI:

InChI=1S/C7H15NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5-6,9-10H,1-4,8H2,(H,11,12)/t5-/m0/s1

InChIKey:

KSOGSUKZGWOZJN-YFKPBYRVSA-N

SMILES:

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

Name:

(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACID

ZINC:

ZINC000033821269

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).