(Q105008795)

English

Anikasin

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

Unk-DL-Leu-DL-Asp-DL-xiThr(1)-DL-Leu-DL-Leu-DL-Ser-DL-Leu-DL-Ser-DL-Leu-DL-xiIle-DL-Asp-(1)

1 reference

based on heuristic

inferred from SMILES

1,353.800684952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆₄H₁₁₁N₁₁O₂₀

0 references

canonical SMILES

CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)O)C(=O)OC1C

0 references

isomeric SMILES

CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC(=O)O)C(=O)O[C@@H]1C

0 references

Pseudomonas fluorescens

1 reference

Structure, Biosynthesis, and Biological Activity of the Cyclic Lipopeptide Anikasin

Identifiers

InChI=1S/C64H111N11O20/c1-15-17-18-19-20-21-39(78)27-49(79)65-40(22-32(3)4)54(84)69-45(28-50(80)81)59(89)75-53-38(14)95-64(94)46(29-51(82)83)71-62(92)52(37(13)16-2)74-58(88)44(26-36(11)12)68-61(91)48(31-77)73-57(87)42(24-34(7)8)67-60(90)47(30-76)72-56(86)41(23-33(5)6)66-55(85)43(25-35(9)10)70-63(53)93/h32-48,52-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,85)(H,67,90)(H,68,91)(H,69,84)(H,70,93)(H,71,92)(H,72,86)(H,73,87)(H,74,88)(H,75,89)(H,80,81)(H,82,83)/t37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48+,52-,53+/m0/s1

0 references

GHXLBZVIYYOQOC-PPTGIHGXSA-N

0 references

3 references

26 December 2021

15 September 2022

matched by identifier from

GHXLBZVIYYOQOC-PPTGIHGXSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C64H111N11O20/c1-15-17-18-19-20-21-39(78)27-49(79)65-40(22-32(3)4)54(84)69-45(28-50(80)81)59(89)75-53-38(14)95-64(94)46(29-51(82)83)71-62(92)52(37(13)16-2)74-58(88)44(26-36(11)12)68-61(91)48(31-77)73-57(87)42(24-34(7)8)67-60(90)47(30-76)72-56(86)41(23-33(5)6)66-55(85)43(25-35(9)10)70-63(53)93/h32-48,52-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,85)(H,67,90)(H,68,91)(H,69,84)(H,70,93)(H,71,92)(H,72,86)(H,73,87)(H,74,88)(H,75,89)(H,80,81)(H,82,83)/t37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48+,52-,53+/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

GHXLBZVIYYOQOC-PPTGIHGXSA-N

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