N-[(3S,6S,7R,10S,15R)-15-benzyl-10-[(2S)-butan-2-yl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]benzamide (CHEBI:225699)

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CHEBI:225699 - N-[(3S,6S,7R,10S,15R)-15-benzyl-10-[(2S)-butan-2-yl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]benzamide

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ChEBI ID	CHEBI:225699
ChEBI Name	N-[(3S,6S,7R,10S,15R)-15-benzyl-10-[(2S)-butan-2-yl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]benzamide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H39NO10
Net Charge	0
Average Mass	609.672
Monoisotopic Mass	609.25740
SMILES	CC[C@H](C)[C@@H]1OC(=O)C(C)(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)OC1=O
InChI	InChI=1S/C33H39NO10/c1-7-19(2)26-31(39)41-20(3)25(34-28(36)23-16-12-9-13-17-23)30(38)42-21(4)29(37)43-24(18-22-14-10-8-11-15-22)27(35)33(5,6)32(40)44-26/h8-17,19-21,24-26H,7,18H2,1-6H3,(H,34,36)/t19-,20+,21-,24+,25-,26-/m0/s1
InChIKey	FAZZMEBXTMSOJN-ZIIXUDKGSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces violaceusniger (ncbitaxon:68280)	-	PubMed (17965480)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,6S,7R,10S,15R)-15-benzyl-10-[(2S)-butan-2-yl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]benzamide (CHEBI:225699) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
N-[(3S,6S,7R,10S,15R)-15-benzyl-10-[(2S)-butan-2-yl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]benzamide

Manual Xrefs	Databases
78441923	ChemSpider