H4S

N-[(2S,3S,4R)-3,4-dihydroxy-1-{[(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide


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Chemical Component Summary

NameN-[(2S,3S,4R)-3,4-dihydroxy-1-{[(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide
IdentifiersN-[(2S,3S,4R)-3,4-bis(oxidanyl)-1-[[(1S,2S,3R,4R,5S)-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octadecan-2-yl]hexacosanamide
FormulaC50 H100 N2 O7
Molecular Weight841.338
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
InChIInChI=1S/C50H100N2O7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(55)52-43(41-51-42-40-45(54)49(58)50(59)48(42)57)47(56)44(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-45,47-51,53-54,56-59H,3-41H2,1-2H3,(H,52,55)/t42-,43-,44+,45-,47-,48-,49+,50+/m0/s1
InChIKeyXXEARWSQDQWKKF-KVWQTNEHSA-N

Chemical Details

Formal Charge0
Atom Count159
Chiral Atom Count8
Bond Count159
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 44626398
ChEBI CHEBI:72586