(Q77374882)

English

Epothilone A1

bioactive natural product

In more languages

Statements

group of stereoisomers

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thiazole alkaloid

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479.234158904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₇NO₆S

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canonical SMILES

O=C1OC(C(=CC=2N=C(SC2)C)C)CC3OC3CCCC(C)C(O)C(C(=O)C(C)C(O)C1)C

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isomeric SMILES

C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)[C@@H](O)CC(=O)O1

0 references

1 reference

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

Identifiers

InChI=1S/C25H37NO6S/c1-13-7-6-8-20-22(31-20)11-21(14(2)9-18-12-33-17(5)26-18)32-23(28)10-19(27)15(3)25(30)16(4)24(13)29/h9,12-13,15-16,19-22,24,27,29H,6-8,10-11H2,1-5H3/b14-9+/t13-,15?,16+,19-,20+,21-,22-,24-/m0/s1

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XBRMHTMQENGRNB-JDFPFZRWSA-N

2 references

language of work or name

Natural Product Atlas

language of work or name

2 references

language of work or name

matched by identifier from

XBRMHTMQENGRNB-JDFPFZRWSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C25H37NO6S/c1-13-7-6-8-20-22(31-20)11-21(14(2)9-18-12-33-17(5)26-18)32-23(28)10-19(27)15(3)25(30)16(4)24(13)29/h9,12-13,15-16,19-22,24,27,29H,6-8,10-11H2,1-5H3/b14-9+/t13-,15?,16+,19-,20+,21-,22-,24-/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XBRMHTMQENGRNB-JDFPFZRWSA-N

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