Arbumycin (CHEBI:218812)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:218812 - Arbumycin

Take structure to advanced search

ChEBI ID	CHEBI:218812
ChEBI Name	Arbumycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H43N3O8
Net Charge	0
Average Mass	513.632
Monoisotopic Mass	513.30502
SMILES	CC[C@@H](C)[C@@H]1OC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)CC)OC(=O)[C@H]([C@@H](C)CC)NC1=O
InChI	InChI=1S/C25H43N3O8/c1-9-12(4)17-24(33)35-19(13(5)10-2)22(31)26-15(7)21(30)28-18(16(8)29)25(34)36-20(14(6)11-3)23(32)27-17/h12-20,29H,9-11H2,1-8H3,(H,26,31)(H,27,32)(H,28,30)/t12-,13+,14+,15-,16+,17-,18-,19-,20-/m0/s1
InChIKey	BCJJBDYIQICBFI-UOYOXBEASA-N

Species of Metabolite	Component	Source	Comments
Calcarisporium arbuscula (ncbitaxon:240499)	-	PubMed (26013262)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Arbumycin (CHEBI:218812) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9S,12S,15S)-3-[(2S)-butan-2-yl]-6,15-bis[(2R)-butan-2-yl]-9-[(1R)-1-hydroxyethyl]-12-methyl-1,7-dioxa-4,10,13-triazacyclopentadecane-2,5,8,11,14-pentone

Manual Xrefs	Databases
78438684	ChemSpider