(Q105121718)

English

N-[(2S,3S,4R)-1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-17-methyloctadecan-2-yl]docosanamide

chemical compound

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instance of

type of chemical entity

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subclass of

N-[1-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-17-methyloctadecan-2-yl]docosanamide

1 reference

based on heuristic

inferred from SMILES

mass

856.711582652 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

N-[(2R,3R,4R)-1-[(2S,3S,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-17-methyloctadecan-2-yl]docosanamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₉H₉₆N₂O₉

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canonical SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1NC(C)=O)C(O)C(O)CCCCCCCCCCCCC(C)C

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isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)[C@H](O)CCCCCCCCCCCCC(C)C

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found in taxon

Halichondria cylindrata

1 reference

stated in

Halicylindrosides, antifungal and cytotoxic cerebrosides from the marine sponge Halichondria cylindrata

Identifiers

InChI

InChI=1S/C49H96N2O9/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-36-44(55)51-41(38-59-49-45(50-40(4)53)48(58)47(57)43(37-52)60-49)46(56)42(54)35-32-29-26-23-21-20-22-25-28-31-34-39(2)3/h39,41-43,45-49,52,54,56-58H,5-38H2,1-4H3,(H,50,53)(H,51,55)/t41-,42+,43+,45+,46-,47+,48+,49+/m0/s1

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InChIKey

IWMKKWYZKOROBK-CERRCVNSSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

IWMKKWYZKOROBK-CERRCVNSSA-N

1 reference

(Q105121718)

N-[(2S,3S,4R)-1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-17-methyloctadecan-2-yl]docosanamide

Statements

Identifiers

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