SEQ2FUN

BioLiP

PDB CCD ID: MVC
Number of entries in BioLiP: 0
Chemical formula: C21 H40 O4
InChI: InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h7-8,20,22-23H,2-6,9-19H2,1H3/b8-7-/t20-/m1/s1
InChIKey: KJHYUSLWTPMFTN-WHXUGTBJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](CO)O
CACTVS 3.370CCCCCCC=CCCCCCCCCCC(=O)OC[CH](O)CO
CACTVS 3.385CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](O)CO
OpenEye OEToolkits 1.7.2CCCCCCC=CCCCCCCCCCC(=O)OCC(CO)O
ACDLabs 12.01O=C(OCC(O)CO)CCCCCCCCC\C=C/CCCCCC
Name:MONOVACCENIN;
11.7 MAG
ZINC: ZINC000032840899
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).