(Q105273291)

English

(2S,3S,4R,5R,6R)-6-{[(9R)-22-[(3E,5R)-5-(carboxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]-22-hydroxy-9-methyldocosyl]oxy}-4,5-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

chemical compound

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No description defined

Statements

type of chemical entity

0 references

6-({22-[5-(carboxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]-22-hydroxy-9-methyldocosyl}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-({22-[(3E)-5-(carboxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]-22-hydroxy-9-methyldocosyl}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

861.472199812 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₇₁NO₁₇

0 references

canonical SMILES

O=C(O)CC1C(=O)C(C(=O)N1C)=C(O)CCCCCCCCCCCCC(C)CCCCCCCCOC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O

0 references

isomeric SMILES

C[C@H](CCCCCCCCCCCC/C(O)=C1/C(=O)[C@@H](CC(=O)O)N(C)C1=O)CCCCCCCCO[C@@H]1O[C@H](C(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

0 references

Penares sollasi

1 reference

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

Identifiers

InChI=1S/C42H71NO17/c1-25(19-15-11-7-5-3-4-6-8-13-17-21-27(45)30-31(48)26(23-29(46)47)43(2)39(30)54)20-16-12-9-10-14-18-22-57-41-36(53)34(51)37(38(60-41)40(55)56)59-42-35(52)33(50)32(49)28(24-44)58-42/h25-26,28,32-38,41-42,44-45,49-53H,3-24H2,1-2H3,(H,46,47)(H,55,56)/b30-27+/t25-,26-,28-,32+,33+,34-,35-,36-,37+,38+,41-,42+/m1/s1

0 references

UIDZHDZHHBGSAV-QULNRIIKSA-N

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