Malformin B2 (CHEBI:215800)

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CHEBI:215800 - Malformin B2

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ChEBI ID	CHEBI:215800
ChEBI Name	Malformin B2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H37N5O5S2
Net Charge	0
Average Mass	515.702
Monoisotopic Mass	515.22361
SMILES	CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]2CSSC[C@@H](NC1=O)C(=O)N2
InChI	InChI=1S/C22H37N5O5S2/c1-10(2)7-13-18(28)24-14-8-33-34-9-15(25-19(14)29)20(30)26-17(12(5)6)22(32)27-16(11(3)4)21(31)23-13/h10-17H,7-9H2,1-6H3,(H,23,31)(H,24,28)(H,25,29)(H,26,30)(H,27,32)/t13-,14+,15+,16+,17-/m0/s1
InChIKey	COOVLPUBLIXDHW-UTSKFRMZSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus niger (ncbitaxon:5061)	-	DOI (10.1016/s0040-4039(00)93584-6)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Malformin B2 (CHEBI:215800) is a oligopeptide (CHEBI:25676)

IUPAC Name
(1S,4S,7R,10S,13S)-4-(2-methylpropyl)-7,10-di(propan-2-yl)-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone

Manual Xrefs	Databases
78438622	ChemSpider