Quinotrierixin (CHEBI:216929)

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CHEBI:216929 - Quinotrierixin

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ChEBI ID	CHEBI:216929
ChEBI Name	Quinotrierixin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H50N2O8S
Net Charge	0
Average Mass	682.880
Monoisotopic Mass	682.32879
SMILES	COC1C=C/C=C\C=C/CC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)/C(C)=C\CCC2=C(SC)C(=O)C=C(NC(=O)C1)C2=O
InChI	InChI=1S/C37H50N2O8S/c1-23-15-14-19-28-34(43)29(22-30(40)35(28)48-5)39-32(41)21-27(46-4)18-12-7-6-8-13-20-31(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,18,22,24-27,31,33,42H,9-11,14,16-17,19-21H2,1-5H3,(H,38,44)(H,39,41)/b7-6-,13-8-,18-12?,23-15-
InChIKey	NJCTWUSOTYPZSD-HVRMBCPSSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (18653996)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Quinotrierixin (CHEBI:216929) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
[(8Z,10Z,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-21-methylsulanyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] 2-(cyclohexanecarbonylamino)propanoate