QWV

N-[(2S,3R)-3-hydroxy-1-{[6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide


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Chemical Component Summary

NameN-[(2S,3R)-3-hydroxy-1-{[6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
Identifiers[(2~{R},3~{R},4~{S},5~{R},6~{S})-6-[(2~{S},3~{R})-2-(hexacosanoylamino)-3-oxidanyl-octadecoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3-phenylpropanoate
FormulaC59 H107 N O9
Molecular Weight974.482
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CCc2ccccc2)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O
InChIInChI=1S/C59H107NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-41-45-54(62)60-51(52(61)44-40-35-33-31-29-27-16-14-12-10-8-6-4-2)48-68-59-58(66)57(65)56(64)53(69-59)49-67-55(63)47-46-50-42-38-37-39-43-50/h37-39,42-43,51-53,56-59,61,64-66H,3-36,40-41,44-49H2,1-2H3,(H,60,62)/t51-,52+,53+,56-,57-,58+,59-/m0/s1
InChIKeyROLREGVMOYCGJS-XRHAFTOMSA-N

Chemical Details

Formal Charge0
Atom Count176
Chiral Atom Count7
Bond Count177
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 132473005
ChEBI CHEBI:140668