(Q105185266)

English

(4S,5S,7R,8S,9R,13Z,16S)-4,8-dihydroxy-5,7,9,13-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6,10-trione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4,8-Dihydroxy-5,7,9,13-tetramethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6,10-trione

1 reference

based on heuristic

inferred from SMILES

mass

491.234158904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-Desmethyl-9-keto-epothilone D, diaster

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₇NO₆S

0 references

canonical SMILES

O=C1OC(C(=CC=2N=C(SC2)C)C)CC=C(C)CCC(=O)C(C)C(O)C(C(=O)C(C)C(O)C1)C

0 references

isomeric SMILES

C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)CC1

0 references

found in taxon

Myxococcus xanthus

1 reference

stated in

Isolation and Characterization of New Epothilone Analogues from Recombinant Myxococcus xanthus Fermentations

Identifiers

InChI

InChI=1S/C26H37NO6S/c1-14-7-9-21(28)16(3)25(31)18(5)26(32)17(4)22(29)12-24(30)33-23(10-8-14)15(2)11-20-13-34-19(6)27-20/h8,11,13,16-18,22-23,25,29,31H,7,9-10,12H2,1-6H3/b14-8-,15-11+/t16-,17-,18+,22-,23-,25-/m0/s1

0 references

InChIKey

NSVRZISPMRJNOX-DJJANGAISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105185266)

(4S,5S,7R,8S,9R,13Z,16S)-4,8-dihydroxy-5,7,9,13-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6,10-trione

Statements

Identifiers

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