Fusarithioamide B (CHEBI:215509)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215509 - Fusarithioamide B

Take structure to advanced search

ChEBI ID	CHEBI:215509
ChEBI Name	Fusarithioamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H29N5O6S
Net Charge	0
Average Mass	467.548
Monoisotopic Mass	467.18385
SMILES	CC1NC(=O)C(C)(CC(=O)O)NC(CN)OC(CCS)NC(=O)c2ccccc2NC1=O
InChI	InChI=1S/C20H29N5O6S/c1-11-17(28)23-13-6-4-3-5-12(13)18(29)24-14(7-8-32)31-15(10-21)25-20(2,9-16(26)27)19(30)22-11/h3-6,11,14-15,25,32H,7-10,21H2,1-2H3,(H,22,30)(H,23,28)(H,24,29)(H,26,27)
InChIKey	CPHWRZKPEJAGRH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Fusarium (ncbitaxon:5506)	-	PubMed (29317147)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Fusarithioamide B (CHEBI:215509) is a cyclic peptide (CHEBI:23449)

IUPAC Name
2-[9-(aminomethyl)-4,7-dimethyl-3,6,13-trioxo-11-(2-sulanylethyl)-10-oxa-2,5,8,12-tetrazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-yl]acetic acid