(Q104946374)

English

(4R,5S,6S,10Z,13S,14E)-2,4,6,14-Tetramethyl-5,13-dihydroxy-15-(2-methyl-4-thiazolyl)-10,14-pentadecadiene-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5,13-Dihydroxy-2,4,6,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dien-3-one

1 reference

based on heuristic

inferred from SMILES

mass

407.249415044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₇NO₃S

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canonical SMILES

O=C(C(C)C)C(C)C(O)C(C)CCCC=CCC(O)C(=CC=1N=C(SC1)C)C

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isomeric SMILES

C/C(=C\c1csc(C)n1)[C@@H](O)C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)C

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found in taxon

Sorangium cellulosum

1 reference

stated in

New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies

Identifiers

InChI

InChI=1S/C23H37NO3S/c1-15(2)22(26)18(5)23(27)16(3)11-9-7-8-10-12-21(25)17(4)13-20-14-28-19(6)24-20/h8,10,13-16,18,21,23,25,27H,7,9,11-12H2,1-6H3/b10-8-,17-13+/t16-,18-,21-,23-/m0/s1

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InChIKey

BUXAQZMQSTYYQK-HCCCJVGISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BUXAQZMQSTYYQK-HCCCJVGISA-N

ChEBI ID

208982

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C23H37NO3S/c1-15(2)22(26)18(5)23(27)16(3)11-9-7-8-10-12-21(25)17(4)13-20-14-28-19(6)24-20/h8,10,13-16,18,21,23,25,27H,7,9,11-12H2,1-6H3/b10-8-,17-13+/t16-,18-,21-,23-/m0/s1

1 reference

Natural Product Atlas ID

NPA018284

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BUXAQZMQSTYYQK-HCCCJVGISA-N

(Q104946374)

(4R,5S,6S,10Z,13S,14E)-2,4,6,14-Tetramethyl-5,13-dihydroxy-15-(2-methyl-4-thiazolyl)-10,14-pentadecadiene-3-one

Statements

Identifiers

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