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BioLiP

PDB CCD ID: EGY
Number of entries in BioLiP: 37
Chemical formula: C33 H67 N O8 P
InChI: InChI=1S/C33H66NO8P/c1-6-8-10-12-14-16-17-18-20-22-24-26-33(36)42-31(30-41-43(37,38)40-28-27-34(3,4)5)29-39-32(35)25-23-21-19-15-13-11-9-7-2/h31H,6-30H2,1-5H3/p+1/t31-/m1/s1
InChIKey: GGHWXDCJHDYMKO-WJOKGBTCSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
CACTVS 3.385CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C
CACTVS 3.385CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C
ACDLabs 12.01OP(=O)(OCC[N+](C)(C)C)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
Name:(4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium
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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