SEQ2FUN

BioLiP

PDB CCD ID: EVT
Number of entries in BioLiP: 2
Chemical formula: C26 H46 N2 O8
InChI: InChI=1S/C26H46N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)27-20(25(33)34)16-18-23(30)28-21(26(35)36)17-19-24(31)32/h20-21H,2-19H2,1H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,35,36)/t20-,21-/m0/s1
InChIKey: JFNZOURGWMREOJ-SFTDATJTSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Name:(2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).