(Q75057041)

English

Epothilone C4

bioactive natural product

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

463.239244284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4S,7R,8S,16S)-4,8-dihydroxy-5,5,7-trimethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₇NO₅S

0 references

canonical SMILES

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

0 references

isomeric SMILES

C[C@@H]1[C@H](CCCC/C=C\C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)O

0 references

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/C25H37NO5S/c1-16(13-19-15-32-18(3)26-19)21-12-10-8-6-7-9-11-20(27)17(2)24(30)25(4,5)22(28)14-23(29)31-21/h8,10,13,15,17,20-22,27-28H,6-7,9,11-12,14H2,1-5H3/b10-8-,16-13+/t17-,20+,21+,22+/m1/s1

0 references

InChIKey

BQWMEQIBCWMVHJ-KBOCJPGHSA-N

0 references

2 references

language of work or name

English

matched by identifier from

InChIKey

BQWMEQIBCWMVHJ-KBOCJPGHSA-N

ChEBI ID

197914

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C25H37NO5S/c1-16(13-19-15-32-18(3)26-19)21-12-10-8-6-7-9-11-20(27)17(2)24(30)25(4,5)22(28)14-23(29)31-21/h8,10,13,15,17,20-22,27-28H,6-7,9,11-12,14H2,1-5H3/b10-8-,16-13+/t17-,20+,21+,22+/m1/s1

1 reference

Natural Product Atlas ID

NPA000432

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BQWMEQIBCWMVHJ-KBOCJPGHSA-N

(Q75057041)

Epothilone C4

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)