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BioLiP

PDB CCD ID: CYJ
Number of entries in BioLiP: 0
Chemical formula: C16 H27 N3 O6
InChI: InChI=1S/C16H27N3O6/c17-12(16(24)25)3-1-2-6-19-13-9-18-8-10(4-5-14(20)21)11(13)7-15(22)23/h10-12,18H,1-9,17H2,(H,20,21)(H,22,23)(H,24,25)/b19-13-/t10-,11-,12+/m1/s1
InChIKey: XKNSCWDBUODVRH-DEBZXTSDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(=NCCCCC(C(=O)O)N)CN1)CC(=O)O)CCC(=O)O
CACTVS 3.341N[CH](CCCCN=C1CNC[CH](CCC(O)=O)[CH]1CC(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCC/N=C1/CNCC(CCC(=O)O)C1CC(=O)O
OpenEye OEToolkits 1.5.0C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CN1)CC(=O)O)CCC(=O)O
CACTVS 3.341N[C@@H](CCCCN=C1CNC[C@@H](CCC(O)=O)[C@H]1CC(O)=O)C(O)=O
Name:(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)PIPERIDIN-3-YLIDENE]-L-LYSINE;
2-AMINO-6-(3-CARBOXY-1-[(4-CARBOXY-2-OXO-BUTYLAMINO)-METHYL]-PROPYLIDENEAMINO)-HEXANOIC ACID
ZINC: ZINC000058660403
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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