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BioLiP

PDB CCD ID: 16E
Number of entries in BioLiP: 0
Chemical formula: C21 H37 N O7
InChI: InChI=1S/C21H37NO7/c23-18(22-17(21(28)29)15-16-20(26)27)13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(24)25/h17H,1-16H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/t17-/m0/s1
InChIKey: SGIVALYPXQHYAY-KRWDZBQOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(CCCCCCCC(=O)O)CCCCCCC(=O)NC(CCC(=O)O)C(=O)O
CACTVS 3.385OC(=O)CCCCCCCCCCCCCCC(=O)N[CH](CCC(O)=O)C(O)=O
CACTVS 3.385OC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
ACDLabs 12.01O=C(NC(C(=O)O)CCC(=O)O)CCCCCCCCCCCCCCC(=O)O
Name:N-(16-Carboxyhexadecanoyl)-L-glutamic acid
ZINC: ZINC000098207924
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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