(Q105206158)

English

(2S,3R,4R,5R,6R)-6-{[(11Z)-24-[(3E,5R)-5-(carboxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]-24-hydroxytetracos-11-en-1-yl]oxy}-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

chemical compound

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subclass of

6-{[(11Z)-24-[(3E)-5-(carboxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]-24-hydroxytetracos-11-en-1-yl]oxy}-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

6-({24-[5-(carboxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]-24-hydroxytetracos-11-en-1-yl}oxy)-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

873.472199812 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₇₁NO₁₇

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canonical SMILES

O=C(O)CC1C(=O)C(C(=O)N1C)=C(O)CCCCCCCCCCCC=CCCCCCCCCCCOC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O

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isomeric SMILES

CN1C(=O)/C(=C(/O)CCCCCCCCCCC/C=C\CCCCCCCCCCO[C@@H]2O[C@H](C(=O)O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)[C@H]1CC(=O)O

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found in taxon

Penares sollasi

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stated in

Ancorinosides B–D, inhibitors of membrane type 1 matrix metalloproteinase (MT1-MMP), from the marine sponge Penares sollasi Thiele

Identifiers

InChI

InChI=1S/C43H71NO17/c1-44-27(25-30(47)48)32(49)31(40(44)55)28(46)23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-58-42-37(54)35(52)38(39(61-42)41(56)57)60-43-36(53)34(51)33(50)29(26-45)59-43/h2,4,27,29,33-39,42-43,45-46,50-54H,3,5-26H2,1H3,(H,47,48)(H,56,57)/b4-2-,31-28+/t27-,29-,33-,34+,35-,36-,37-,38-,39+,42-,43+/m1/s1

(Q105206158)

(2S,3R,4R,5R,6R)-6-{[(11Z)-24-[(3E,5R)-5-(carboxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]-24-hydroxytetracos-11-en-1-yl]oxy}-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

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