Malformin A2 (CHEBI:211438)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211438 - Malformin A2

Take structure to advanced search

ChEBI ID	CHEBI:211438
ChEBI Name	Malformin A2
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]2CSSC[C@@H](NC(=O)[C@H](C(C)C)NC1=O)C(=O)N2
InChI	InChI=1S/C22H37N5O5S2/c1-10(2)7-13-18(28)26-17(12(5)6)22(32)25-14-8-33-34-9-15(24-19(14)29)20(30)27-16(11(3)4)21(31)23-13/h10-17H,7-9H2,1-6H3,(H,23,31)(H,24,29)(H,25,32)(H,26,28)(H,27,30)/t13-,14-,15-,16+,17+/m1/s1
InChIKey	KRQRRZFXHYYNSO-MTSZKFMLSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus niger (ncbitaxon:5061)	-	DOI (10.1016/s0040-4039(00)97615-9)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Malformin A2 (CHEBI:211438) is a oligopeptide (CHEBI:25676)

IUPAC Name
(1S,4S,7R,10S,13S)-7-(2-methylpropyl)-4,10-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
78436211	ChemSpider