SEQ2FUN

BioLiP

PDB CCD ID: GGD
Number of entries in BioLiP: 0
Chemical formula: C52 H94 O15
InChI: InChI=1S/C52H94O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(56)64-40(38-62-43(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)39-63-51-49(61)50(46(58)42(37-54)65-51)67-52-48(60)47(59)45(57)41(36-53)66-52/h17-20,40-42,45-54,57-61H,3-16,21-39H2,1-2H3/b19-17+,20-18+/t40?,41-,42-,45-,46+,47+,48-,49-,50+,51-,52+/m1/s1
InChIKey: OGKQOSUHVSQNSH-IQXSWRQFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCC=CCCCCCCCCC(=O)O[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O)COC(=O)CCCCCCCC=CCCCCCCCC
CACTVS 3.341CCCCCCCC/C=C/CCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)COC(=O)CCCCCCC\C=C\CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCCC(=O)OC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCCC/C=C/CCCCCCCC)COC2OC(CO)C(O)C(OC1OC(C(O)C(O)C1O)CO)C2O)CCCCCCC/C=C/CCCCCCCC
Name:NONADEC-10-ENOIC ACID 2-[3,4-DIHYDROXY-6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-TETRAHYDRO-PYRAN-2-YLOXY] -1-OCTADEC-9-ENOYLOXYMETHYL-ETHYL ESTER;
GLUCOSYL-GALACTOSYL DIACYL-GLYCEROL
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).