Arthroamide (CHEBI:216253)

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CHEBI:216253 - Arthroamide

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ChEBI ID	CHEBI:216253
ChEBI Name	Arthroamide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H42N4O6
Net Charge	0
Average Mass	542.677
Monoisotopic Mass	542.31044
SMILES	CC(C)[C@@H]1NC(=O)C[C@H](/C=C/c2ccccc2)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC1=O
InChI	InChI=1S/C29H42N4O6/c1-16(2)23-27(36)30-19(7)26(35)32-24(17(3)4)28(37)33-25(18(5)6)29(38)39-21(15-22(34)31-23)14-13-20-11-9-8-10-12-20/h8-14,16-19,21,23-25H,15H2,1-7H3,(H,30,36)(H,31,34)(H,32,35)(H,33,37)/b14-13+/t19-,21+,23+,24+,25+/m1/s1
InChIKey	YCQYXHBWHHEYIM-DNSLKWDESA-N

Species of Metabolite	Component	Source	Comments
Arthrobacterspecies (ncbitaxon:1667)	-	PubMed (26575343)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Arthroamide (CHEBI:216253) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9R,12S,16R)-9-methyl-16-[(E)-2-phenylethenyl]-3,6,12-tri(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone

Manual Xrefs	Databases
58919186	ChemSpider