SEQ2FUN

BioLiP

PDB CCD ID: VCG
Number of entries in BioLiP: 7
Chemical formula: C32 H60 O10
InChI: InChI=1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-27-29(39-22-19-34)32-28(38-21-18-33)26-31(42-32)41-23-20-35/h9-10,28-29,31-35H,2-8,11-27H2,1H3/b10-9+/t28-,29+,31-,32+/m1/s1
InChIKey: RGPBUVUVZKQNHD-YPJAPDKZSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(CC(OCCOCC(OCCO)C1C(OCCO)CC(O1)OCCO)=O)CCCCC[C@H]=[C@H]CCCCCCCC
CACTVS 3.385CCCCCCCC\C=C\CCCCCCCC(=O)OCCOC[C@H](OCCO)[C@H]1O[C@H](C[C@H]1OCCO)OCCO
CACTVS 3.385CCCCCCCCC=CCCCCCCCC(=O)OCCOC[CH](OCCO)[CH]1O[CH](C[CH]1OCCO)OCCO
OpenEye OEToolkits 2.0.7CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO
OpenEye OEToolkits 2.0.7CCCCCCCC/C=C/CCCCCCCC(=O)OCCOC[C@@H]([C@@H]1[C@@H](C[C@@H](O1)OCCO)OCCO)OCCO
Name:2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside;
Polysorbate 80
ZINC: ZINC000008101168
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).