LacCer

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 3
PubChem 16760533
Molecular Formula

C53H101NO13

SMILES

CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C53H101NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-45(58)54-41(42(57)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)40-64-52-50(63)48(61)51(44(39-56)66-52)67-53-49(62)47(60)46(59)43(38-55)65-53/h34,36,41-44,46-53,55-57,59-63H,3-33,35,37-40H2,1-2H3,(H,54,58)/b36-34+/t41-,42+,43?,44?,46?,47?,48?,49?,50?,51?,52?,53?/m0/s1

synonyms
  • LacCer
  • JMIBHWXICSSLDW-UPZGRDLDSA-N
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Properties
Property Value
MW 960.4 g/mol
HBD 9
HBA 13
Rotatable Bond Count 43
Exact Mass 959.72729228 g/mol
Monoisotopic Mass 959.72729228 g/mol
Heavy Atom Count 67
Isotope Atom Count 0
Atom Stereo Count 12
Covalent Unit Count 1
Complexity 1180
xlogp 12.9
Topological Polar Surface Area 228