Muscotoxin A (CHEBI:213236)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213236 - Muscotoxin A

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:213236
ChEBI Name	Muscotoxin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C58H90N12O16
Net Charge	0
Average Mass	1211.426
Monoisotopic Mass	1210.65977
SMILES	C/C=C1/NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)C(CC(O)CCCCC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC1=O
InChI	InChI=1S/C58H90N12O16/c1-7-11-13-20-35(73)28-38-48(76)57(85)62-37(23-24-44(59)74)49(77)60-29-45(75)69-25-16-21-42(69)54(82)64-39(27-34-18-14-12-15-19-34)51(79)67-46(32(5)8-2)56(84)66-40(30-71)52(80)61-36(10-4)50(78)65-41(31-72)53(81)68-47(33(6)9-3)58(86)70-26-17-22-43(70)55(83)63-38/h10,12,14-15,18-19,32-33,35,37-43,46-48,71-73,76H,7-9,11,13,16-17,20-31H2,1-6H3,(H2,59,74)(H,60,77)(H,61,80)(H,62,85)(H,63,83)(H,64,82)(H,65,78)(H,66,84)(H,67,79)(H,68,81)/b36-10+/t32-,33-,35?,37+,38?,39-,40-,41-,42-,43-,46+,47+,48?/m0/s1
InChIKey	WYLYXGBHDIWORI-OJRIBGMLSA-N

Species of Metabolite	Component	Source	Comments
Desmonostoc muscorum (ncbitaxon:1179)	-	PubMed (25621379)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Muscotoxin A (CHEBI:213236) is a cyclic peptide (CHEBI:23449)

IUPAC Name
3-[(6R,13S,19R,22S,25E,28S,31R,34S,37S)-34-benzyl-19,31-bis[(2S)-butan-2-yl]-25-ethylidene-9-hydroxy-10-(2-hydroxyheptyl)-22,28-bis(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-6-yl]propanamide