(Q105009380)

English

(2R)-N-[(2S,3S,4R)-1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-14-methylpentadecan-2-yl]-2-hydroxytricosanamide

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

N-[1-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-14-methylpentadecan-2-yl]-2-hydroxytricosanamide

1 reference

based on heuristic

inferred from SMILES

mass

844.675197144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-N-[(2S,3S,4R)-1-[(2R,3R,4S,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-14-methylpentadecan-2-yl]-2-hydroxytricosanamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₇H₉₂N₂O₁₀

0 references

canonical SMILES

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

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isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=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)CCCCCCCCCC(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/C47H92N2O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-40(53)46(57)49-38(43(54)39(52)32-29-26-24-21-22-25-28-31-36(2)3)35-58-47-42(48-37(4)51)45(56)44(55)41(34-50)59-47/h36,38-45,47,50,52-56H,5-35H2,1-4H3,(H,48,51)(H,49,57)/t38-,39+,40+,41+,42+,43-,44+,45+,47+/m0/s1

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InChIKey

GJGSHIFAKSRQJN-NLHNXMGMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GJGSHIFAKSRQJN-NLHNXMGMSA-N

1 reference

(Q105009380)

(2R)-N-[(2S,3S,4R)-1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-14-methylpentadecan-2-yl]-2-hydroxytricosanamide

Statements

Identifiers

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