(Q105104538)

English

Guanidylfungin B

group of stereoisomers with the chemical formula C₅₇H₁₀₁N₃O₁₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

1,115.708013392 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₇H₁₀₁N₃O₁₈

0 references

canonical SMILES

O=C(O)CC(=O)OC1C=CC(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)CC(O)CC(O)C(C)C(O)C(=CCCC(C)C(OC(=O)C1C)C(C)CC(=CCCCCCNC(=N)N)C)C)CC(O)C2O

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isomeric SMILES

C/C(=C\CCCCCNC(=N)N)CC(C)C1OC(=O)C(C)C(OC(=O)CC(=O)O)/C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)CC(O)CC(O)C(C)C(O)/C(C)=C/CCC1C)CC(O)C2O

1 reference

based on heuristic

inferred from InChI

found in taxon

Streptomyces hygroscopicus

2 references

stated in

Studies on new antifungal antibiotics, guanidylfungins A and B. II. Structure elucidation and biosynthesis

stated in

Studies on new antifungal antibiotics, guanidylfungins A and B. I. Taxonomy, fermentation, isolation and characterization.

Identifiers

InChI

InChI=1S/C57H101N3O18/c1-31(15-12-10-11-13-22-60-56(58)59)23-36(6)53-35(5)17-14-16-34(4)52(72)38(8)45(65)26-41(62)24-40(61)25-42-27-47(67)54(73)57(75,78-42)30-48(68)33(3)18-20-43(63)37(7)46(66)28-44(64)32(2)19-21-49(39(9)55(74)77-53)76-51(71)29-50(69)70/h15-16,19,21,32-33,35-49,52-54,61-68,72-73,75H,10-14,17-18,20,22-30H2,1-9H3,(H,69,70)(H4,58,59,60)/b21-19+,31-15+,34-16+

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InChIKey

DVNBCGGJVDKDQA-UCNQLLDXSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105104538)

Guanidylfungin B

Statements

Identifiers

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