(Q105195377)

English

(2R)-2-hydroxy-N-[(E,2S,3R,14R)-3-hydroxy-14-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]tricosanamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-hydroxy-N-[3-hydroxy-14-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]tricosanamide

1 reference

based on heuristic

inferred from SMILES

mass

799.653733428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₈₉NO₉

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canonical SMILES

CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCC(C)CC

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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]1O)[C@H](O)/C=C/CCCCCCCC[C@H](C)CC

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found in taxon

Pseudocnus echinatus

1 reference

stated in

Constituents of holothuroideae, IV. Isolation and structure of three new cerebrosides, CE-2b, CE-2c and CE-2d, from the sea cucumberCucumaria echinata

Plesiocolochirus australis

1 reference

stated in

Constituents of Holothuroideae, V. Isolation and Structure of Cerebrosides from the Sea CucumberPentacta australis

Identifiers

InChI

InChI=1S/C46H89NO9/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-40(50)45(54)47-38(36-55-46-44(53)43(52)42(51)41(35-48)56-46)39(49)33-30-27-24-22-21-23-26-29-32-37(3)5-2/h30,33,37-44,46,48-53H,4-29,31-32,34-36H2,1-3H3,(H,47,54)/b33-30+/t37-,38+,39-,40-,41-,42-,43+,44-,46-/m1/s1

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InChIKey

OOHBKXUIFCNQOB-OPSRDPOKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OOHBKXUIFCNQOB-OPSRDPOKSA-N

(Q105195377)

(2R)-2-hydroxy-N-[(E,2S,3R,14R)-3-hydroxy-14-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]tricosanamide

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Identifiers

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