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BioLiP

PDB CCD ID: KAP
Number of entries in BioLiP: 22
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:
SoftwareSMILES
ACDLabs 10.04O=C(CCCCCC(=O)O)C(N)C
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)CCCCCC(=O)O)N
OpenEye OEToolkits 1.5.0CC(C(=O)CCCCCC(=O)O)N
CACTVS 3.341C[CH](N)C(=O)CCCCCC(O)=O
CACTVS 3.341C[C@H](N)C(=O)CCCCCC(O)=O
Name:7-KETO-8-AMINOPELARGONIC ACID
DrugBank: DB02274
ZINC: ZINC000001532843
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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