Tumescenamide B (CHEBI:199108)

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CHEBI:199108 - Tumescenamide B

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ChEBI ID	CHEBI:199108
ChEBI Name	Tumescenamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H63N5O8
Net Charge	0
Average Mass	741.971
Monoisotopic Mass	741.46766
SMILES	C/C=C1\NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(C)CC(C)CC(C)CCC)[C@H](C)OC1=O
InChI	InChI=1S/C40H63N5O8/c1-11-13-24(7)19-25(8)20-26(9)35(47)45-34-27(10)53-40(52)30(12-2)41-36(48)32(21-28-14-16-29(46)17-15-28)43-38(50)33(23(5)6)44-37(49)31(18-22(3)4)42-39(34)51/h12,14-17,22-27,31-34,46H,11,13,18-21H2,1-10H3,(H,41,48)(H,42,51)(H,43,50)(H,44,49)(H,45,47)/b30-12-/t24?,25?,26?,27-,31-,32+,33-,34-/m0/s1
InChIKey	JDEKCDUJAJBUDG-ADOXOQEKSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (20606694)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Tumescenamide B (CHEBI:199108) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
N-[(3Z,6R,9S,12S,15S,16S)-3-ethylidene-6-[(4-hydroxyphenyl)methyl]-16-methyl-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-9-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-2,4,6-trimethylnonanamide

Manual Xrefs	Databases
78445033	ChemSpider