Epothilone B 3-alpha-D-arabinofuranoside (CHEBI:206409)

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CHEBI:206409 - Epothilone B 3-alpha-D-arabinofuranoside

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ChEBI ID	CHEBI:206409
ChEBI Name	Epothilone B 3-alpha-D-arabinofuranoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H49NO10S
Net Charge	0
Average Mass	639.808
Monoisotopic Mass	639.30772
SMILES	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](OC2OC(CO)C(O)C2O)CC(=O)O1
InChI	InChI=1S/C32H49NO10S/c1-16-9-8-10-32(7)24(43-32)12-21(17(2)11-20-15-44-19(4)33-20)40-25(35)13-23(31(5,6)29(39)18(3)26(16)36)42-30-28(38)27(37)22(14-34)41-30/h11,15-16,18,21-24,26-28,30,34,36-38H,8-10,12-14H2,1-7H3/b17-11+/t16-,18+,21-,22?,23-,24-,26-,27?,28?,30?,32+/m0/s1
InChIKey	AFWGTYVSXAWKLJ-BRAFTBRDSA-N

Species of Metabolite	Component	Source	Comments
Sorangium (ncbitaxon:39643)	-	PubMed (19575038)

Roles Classification

Biological Role:

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	Epothilone B 3-alpha-D-arabinofuranoside (CHEBI:206409) is a epothilone (CHEBI:60831)

IUPAC Name
(1S,3S,7S,10R,11S,12S,16R)-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-11-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

Manual Xrefs	Databases
78445332	ChemSpider