Roseotoxin B (CHEBI:210256)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210256 - Roseotoxin B

Take structure to advanced search

ChEBI ID	CHEBI:210256
ChEBI Name	Roseotoxin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H49N5O7
Net Charge	0
Average Mass	591.750
Monoisotopic Mass	591.36320
SMILES	C=CC[C@H]1OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2[C@@H](C)CCN2C1=O
InChI	InChI=1S/C30H49N5O7/c1-10-12-21-28(39)35-16-14-19(6)25(35)27(38)32-23(18(5)11-2)29(40)34(9)24(17(3)4)30(41)33(8)20(7)26(37)31-15-13-22(36)42-21/h10,17-21,23-25H,1,11-16H2,2-9H3,(H,31,37)(H,32,38)/t18-,19-,20-,21+,23-,24-,25-/m0/s1
InChIKey	GZRXQMYGOOOMFR-KYUXFNSZSA-N

Species of Metabolite	Component	Source	Comments
Trichothecium roseum (ncbitaxon:47278)	-	DOI (10.1021/ja00320a028)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Roseotoxin B (CHEBI:210256) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,10S,13S,16S,19S,20S)-16-[(2S)-butan-2-yl]-10,11,14,20-tetramethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Manual Xrefs	Databases
21256766	ChemSpider