Malformin B1a (CHEBI:204012)

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CHEBI:204012 - Malformin B1a

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ChEBI ID	CHEBI:204012
ChEBI Name	Malformin B1a
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H39N5O5S2
Net Charge	0
Average Mass	529.729
Monoisotopic Mass	529.23926
SMILES	CC[C@@H](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/c1-7-13(6)18-23(33)26-15-9-34-35-10-16(25-20(15)30)21(31)27-17(12(4)5)22(32)24-14(8-11(2)3)19(29)28-18/h11-18H,7-10H2,1-6H3,(H,24,32)(H,25,30)(H,26,33)(H,27,31)(H,28,29)/t13-,14-,15-,16-,17+,18+/m1/s1
InChIKey	RNCGDQLZIATDOU-WJQMWINMSA-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 B1a (CHEBI:204012) is a oligopeptide (CHEBI:25676)

IUPAC Name
(1S,4S,7R,10S,13S)-4-[(2R)-butan-2-yl]-7-(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
78437082	ChemSpider