Micacocidin (CHEBI:198957)

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CHEBI:198957 - Micacocidin

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ChEBI ID	CHEBI:198957
ChEBI Name	Micacocidin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H39N3O4S3
Net Charge	0
Average Mass	565.827
Monoisotopic Mass	565.21027
SMILES	CCCCCc1cccc(O)c1C1=N[C@@H]([C@H]2SC[C@@H]([C@@H](O)C(C)(C)C3=N[C@@](C)(C(=O)O)CS3)N2C)CS1
InChI	InChI=1S/C27H39N3O4S3/c1-6-7-8-10-16-11-9-12-19(31)20(16)22-28-17(13-35-22)23-30(5)18(14-36-23)21(32)26(2,3)24-29-27(4,15-37-24)25(33)34/h9,11-12,17-18,21,23,31-32H,6-8,10,13-15H2,1-5H3,(H,33,34)/t17-,18+,21-,23-,27-/m1/s1
InChIKey	GGWOUCUSNYVHOC-QJKBBIFYSA-N

Species of Metabolite	Component	Source	Comments
Pseudomonas (ncbitaxon:286)	-	PubMed (10908118)

ChEBI Ontology

Outgoing Relation(s)
	Micacocidin (CHEBI:198957) has functional parent α-amino acid (CHEBI:33704)
	Micacocidin (CHEBI:198957) is a organonitrogen compound (CHEBI:35352)
	Micacocidin (CHEBI:198957) is a organooxygen compound (CHEBI:36963)

IUPAC Name
(4S)-2-[(1S)-1-hydroxy-1-[(2R,4R)-2-[(4R)-2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid

Manual Xrefs	Databases
34485487	ChemSpider