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BioLiP

PDB CCD ID: D6M
Number of entries in BioLiP: 9
Chemical formula: C21 H39 N O5
InChI: InChI=1S/C21H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(26)27)16-17-20(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1
InChIKey: KMAOMYOPEIRFLB-SFHVURJKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)N[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
ACDLabs 12.01O=C(NC(C(=O)O)CCC(=O)O)CCCCCCCCCCCCCCC
Name:N-hexadecanoyl-L-glutamic acid
ZINC: ZINC000028538229
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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