(Q82910323)

English

N-[3,4-dihydroxy-16-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-2-hydroxytetracosanamide

group of stereoisomers with the chemical formula C₄₉H₉₇NO₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

859.7112483039999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₉H₉₇NO₁₀

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canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCC(C)CC

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isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)C(O)CCCCCCCCCCCC(C)CC

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Identifiers

InChI

InChI=1S/C49H97NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(53)48(58)50-40(38-59-49-47(57)46(56)45(55)43(37-51)60-49)44(54)41(52)35-32-29-26-24-21-22-25-28-31-34-39(3)5-2/h39-47,49,51-57H,4-38H2,1-3H3,(H,50,58)/t39?,40?,41?,42?,43-,44?,45+,46+,47-,49+/m1/s1

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InChIKey

CWDKQZNZOJUUBP-DPNOIICRSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID901363082

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(Q82910323)

N-[3,4-dihydroxy-16-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-2-hydroxytetracosanamide

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