Thiangazole (CHEBI:221063)

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CHEBI:221063 - Thiangazole

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ChEBI ID	CHEBI:221063
ChEBI Name	Thiangazole
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H29N5O2S3
Net Charge	0
Average Mass	539.752
Monoisotopic Mass	539.14834
SMILES	CNC(=O)c1nc([C@]2(C)CSC([C@]3(C)CSC([C@]4(C)CSC(/C=C/c5ccccc5)=N4)=N3)=N2)oc1C
InChI	InChI=1S/C26H29N5O2S3/c1-16-19(20(32)27-5)28-21(33-16)24(2)13-35-23(30-24)26(4)15-36-22(31-26)25(3)14-34-18(29-25)12-11-17-9-7-6-8-10-17/h6-12H,13-15H2,1-5H3,(H,27,32)/b12-11+/t24-,25-,26-/m0/s1
InChIKey	IPNBHSCJCMEBFX-WMXIMKIMSA-N

Species of Metabolite	Component	Source	Comments
Polyangiumspecies (ncbitaxon:57)	-	DOI (10.1002/jlac.199219920163)

ChEBI Ontology

Outgoing Relation(s)
	Thiangazole (CHEBI:221063) is a oxazole (CHEBI:35790)

IUPAC Name
N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide

Manual Xrefs	Databases
4953604	ChemSpider