(Q105189137)

English

(2S)-N-[(2S,3S,4R)-1-[(2R,3R,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxydocosanamide

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-16-methylheptadecan-2-yl]-2-hydroxydocosanamide

1 reference

based on heuristic

inferred from SMILES

mass

858.690847208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(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-16-methylheptadecan-2-yl]-2-hydroxydocosanamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₈H₉₄N₂O₁₀

0 references

canonical SMILES

CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1NC(C)=O)C(O)C(O)CCCCCCCCCCCC(C)C

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isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[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)CCCCCCCCCCCC(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/C48H94N2O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-41(54)47(58)50-39(36-59-48-43(49-38(4)52)46(57)45(56)42(35-51)60-48)44(55)40(53)33-30-27-24-22-19-20-23-26-29-32-37(2)3/h37,39-46,48,51,53-57H,5-36H2,1-4H3,(H,49,52)(H,50,58)/t39-,40+,41-,42-,43+,44-,45-,46-,48+/m0/s1

0 references

InChIKey

OBRWTLVNTHCDQP-NZBZVYEBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OBRWTLVNTHCDQP-NZBZVYEBSA-N

(Q105189137)

(2S)-N-[(2S,3S,4R)-1-[(2R,3R,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxydocosanamide

Statements

Identifiers

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