Ergobalansine (CHEBI:213059)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213059 - Ergobalansine

Take structure to advanced search

ChEBI ID	CHEBI:213059
ChEBI Name	Ergobalansine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H35N5O5
Net Charge	0
Average Mass	521.618
Monoisotopic Mass	521.26382
SMILES	CC(C)C[C@H]1C(=O)N[C@@H](C)[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6ncc(c56)C[C@H]4N(C)C3)C(=O)N12
InChI	InChI=1S/C28H35N5O5/c1-14(2)9-22-25(35)30-15(3)28(37)33(22)26(36)27(4,38-28)31-24(34)17-10-19-18-7-6-8-20-23(18)16(12-29-20)11-21(19)32(5)13-17/h6-8,10,12,14-15,17,21-22,29,37H,9,11,13H2,1-5H3,(H,30,35)(H,31,34)/t15-,17+,21+,22-,27+,28-/m0/s1
InChIKey	JUCIBGILHVUKSN-NLTYGUFLSA-N

Species of Metabolite	Component	Source	Comments
Balansia obtecta (ncbitaxon:40611)	-	DOI (10.1021/np50071a021)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Ergobalansine (CHEBI:213059) is a peptide (CHEBI:16670)

IUPAC Name
(6aR,9R)-N-[(2R,5S,8S,8aS)-8a-hydroxy-2,8-dimethyl-5-(2-methylpropyl)-3,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[3,2-a]pyrazin-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-g]quinoline-9-carboxamide

Manual Xrefs	Databases
58828627	ChemSpider