BioLiP

PDB

BioLiP

PDB CCD ID:

00V

Number of entries in BioLiP:

Chemical formula:

C7 H16 N2 O3

InChI:

InChI=1S/C7H16N2O3/c8-4-2-1-3-5(9)6(10)7(11)12/h5-6,10H,1-4,8-9H2,(H,11,12)/t5-,6-/m0/s1

InChIKey:

ICHJIRHABUATNQ-WDSKDSINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(CCN)CC(C(C(=O)O)O)N
CACTVS 3.370	NCCCC[C@H](N)[C@H](O)C(O)=O
ACDLabs 12.01	O=C(O)C(O)C(N)CCCCN
OpenEye OEToolkits 1.7.0	C(CCN)C[C@@H]([C@@H](C(=O)O)O)N
CACTVS 3.370	NCCCC[CH](N)[CH](O)C(O)=O

Name:

(2S,3S)-3,7-diamino-2-hydroxyheptanoic acid

ZINC:

ZINC000098207728

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).