Tumescenamide C (CHEBI:215020)

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CHEBI:215020 - Tumescenamide C

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ChEBI ID	CHEBI:215020
ChEBI Name	Tumescenamide C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H57N5O8
Net Charge	0
Average Mass	699.890
Monoisotopic Mass	699.42071
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@@H](C)C[C@@H](C)CCC)[C@@H](C)OC1=O
InChI	InChI=1S/C37H57N5O8/c1-10-12-22(7)18-23(8)32(44)42-31-24(9)50-37(49)27(11-2)38-33(45)29(19-25-13-15-26(43)16-14-25)40-35(47)30(21(5)6)41-34(46)28(17-20(3)4)39-36(31)48/h11,13-16,20-24,28-31,43H,10,12,17-19H2,1-9H3,(H,38,45)(H,39,48)(H,40,47)(H,41,46)(H,42,44)/b27-11-/t22-,23-,24+,28-,29+,30+,31-/m0/s1
InChIKey	CUJBKWCXRLZJMY-AVQLBBDLSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	DOI (10.1016/j.tet.2012.04.075)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tumescenamide C (CHEBI:215020) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2S,4S)-N-[(3Z,6R,9R,12S,15S,16R)-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-dimethylheptanamide

Manual Xrefs	Databases
59702663	ChemSpider