(Q105033790)

English

(2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-10-en-2-yl]-2-hydroxytetracosanamide

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-10-en-2-yl]-2-hydroxytetracosanamide

1 reference

based on heuristic

inferred from SMILES

mass

843.679948176 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₉₃NO₁₀

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canonical SMILES

CCCCCCCC=CCCCCCC(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC

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isomeric SMILES

CCCCCCC/C=C\CCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC

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found in taxon

Gynura divaricata

1 reference

stated in

A new cerebroside from Gynura divaricata

Identifiers

InChI

InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h16,25,39-46,48,50-56H,3-15,17-24,26-38H2,1-2H3,(H,49,57)/b25-16-/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1

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InChIKey

HUHVDCYMYIXOIN-VOTJRPDESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HUHVDCYMYIXOIN-VOTJRPDESA-N

(Q105033790)

(2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-10-en-2-yl]-2-hydroxytetracosanamide

Statements

Identifiers

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