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BioLiP

PDB CCD ID: CLH
Number of entries in BioLiP: 0
Chemical formula: C10 H17 N3 O5
InChI: InChI=1S/C10H17N3O5/c11-7(10(17)18)3-1-2-4-12-8(15)5-13-9(16)6-14/h6-7H,1-5,11H2,(H,12,15)(H,13,16)(H,17,18)/t7-/m0/s1
InChIKey: JGTOTYLLHQQHPV-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH](CCCCNC(=O)CNC(=O)C=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CCNC(=O)CNC(=O)C=O)C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCCCNC(=O)CNC(=O)C=O)C(O)=O
ACDLabs 10.04O=CC(=O)NCC(=O)NCCCCC(N)C(=O)O
OpenEye OEToolkits 1.5.0C(CCNC(=O)CNC(=O)C=O)CC(C(=O)O)N
Name:2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID
ZINC: ZINC000058632663
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)(download the PDF file).
  • 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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