globotriaosylceramide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 87
Total Number of Articles : 480
PubChem 66616222
Molecular Formula

C38H69NO18

SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)NC(=O)C)O

InChI

InChI=1S/C38H69NO18/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(44)22(39-21(2)43)20-52-36-32(50)29(47)34(25(18-41)54-36)57-38-33(51)30(48)35(26(19-42)55-38)56-37-31(49)28(46)27(45)24(17-40)53-37/h15-16,22-38,40-42,44-51H,3-14,17-20H2,1-2H3,(H,39,43)/b16-15+/t22-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+,33+,34+,35-,36+,37+,38-/m0/s1

synonyms
  • Globotriaosylceramide
  • globotriosylceramide
  • CD77 Antigen
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Properties
Property Value
MW 827.9 g/mol
HBD 12
HBA 18
Rotatable Bond Count 25
Exact Mass 827.45146435 g/mol
Monoisotopic Mass 827.45146435 g/mol
Heavy Atom Count 57
Isotope Atom Count 0
Atom Stereo Count 17
Covalent Unit Count 1
Complexity 1140
xlogp -0.3
Topological Polar Surface Area 307