Androsamide (CHEBI:225097)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225097 - Androsamide

Take structure to advanced search

ChEBI ID	CHEBI:225097
ChEBI Name	Androsamide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H43N5O6S
Net Charge	0
Average Mass	589.759
Monoisotopic Mass	589.29341
SMILES	CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2cnc3cccc(OC)c23)N(C)C(=O)[C@H](CCSC)N(C)C1=O
InChI	InChI=1S/C29H43N5O6S/c1-8-16(2)24-29(39)33(4)20(12-13-41-7)28(38)34(5)21(26(36)32-25(17(3)35)27(37)31-24)14-18-15-30-19-10-9-11-22(40-6)23(18)19/h9-11,15-17,20-21,24-25,30,35H,8,12-14H2,1-7H3,(H,31,37)(H,32,36)/t16-,17+,20-,21-,24-,25-/m0/s1
InChIKey	ZWYVELQUUSTYOT-VNNCAGFVSA-N

Species of Metabolite	Component	Source	Comments
Nocardiopsis (ncbitaxon:2013)	-	PubMed (32985880)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Androsamide (CHEBI:225097) is a oligopeptide (CHEBI:25676)

IUPAC Name
(3S,6S,9S,12S)-6-[(2S)-butan-2-yl]-9-[(1R)-1-hydroxyethyl]-12-[(4-methoxy-1H-indol-3-yl)methyl]-1,4-dimethyl-3-(2-methylsulanylethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone