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BioLiP

PDB CCD ID: R1V
Number of entries in BioLiP: 1
Chemical formula: C15 H25 N O4
InChI: InChI=1S/C15H25NO4/c1-11(2)5-4-6-12(3)9-10-16-13(15(19)20)7-8-14(17)18/h5,9,13,16H,4,6-8,10H2,1-3H3,(H,17,18)(H,19,20)/b12-9+/t13-/m0/s1
InChIKey: WRAUYKHQSOIVEN-SRXBQZRASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)=CCCC(C)=CCN[CH](CCC(O)=O)C(O)=O
CACTVS 3.385CC(C)=CCC/C(C)=C/CN[C@@H](CCC(O)=O)C(O)=O
ACDLabs 12.01CC(C)=[C@H]CCC(C)=[C@H]CNC(C(O)=O)CCC(=O)O
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCNC(CCC(=O)O)C(=O)O)C)C
OpenEye OEToolkits 2.0.7CC(=CCC/C(=C/CN[C@@H](CCC(=O)O)C(=O)O)/C)C
Name:N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid
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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