Malformin B1b (CHEBI:227459)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227459 - Malformin B1b

Take structure to advanced search

ChEBI ID	CHEBI:227459
ChEBI Name	Malformin B1b
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H39N5O5S2
Net Charge	0
Average Mass	529.729
Monoisotopic Mass	529.23926
SMILES	CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]2CSSC[C@@H](NC1=O)C(=O)N2
InChI	InChI=1S/C23H39N5O5S2/c1-11(2)7-14-20(30)26-16-9-34-35-10-17(27-21(16)31)22(32)28-18(13(5)6)23(33)25-15(8-12(3)4)19(29)24-14/h11-18H,7-10H2,1-6H3,(H,24,29)(H,25,33)(H,26,30)(H,27,31)(H,28,32)/t14-,15+,16+,17+,18-/m0/s1
InChIKey	TZODYIWCRGWHQB-TZNCUMHOSA-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 B1b (CHEBI:227459) is a oligopeptide (CHEBI:25676)

IUPAC Name
(1S,4S,7R,10S,13S)-4,7-bis(2-methylpropyl)-10-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
10269547	ChemSpider