BioLiP

PDB

BioLiP

PDB CCD ID:

KAP

Number of entries in BioLiP:

Chemical formula:

C9 H17 N O3

InChI:

InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1

InChIKey:

GUAHPAJOXVYFON-ZETCQYMHSA-N

SMILES:

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

Name:

7-KETO-8-AMINOPELARGONIC ACID

DrugBank:

DB02274

ZINC:

ZINC000001532843

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).