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CHEBI:230305 - Mucronine D

ChEBI IDCHEBI:230305
ChEBI NameMucronine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H51N5O6
Net Charge0
Average Mass661.844
Monoisotopic Mass661.38393
SMILESCCC(C)C1NC(=O)C2C(CCN2C(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/NC1=O
InChIInChI=1S/C37H51N5O6/c1-8-24(4)32-35(44)38-18-16-26-22-27(14-15-30(26)47-7)48-31-17-19-42(33(31)36(45)40-32)37(46)28(20-23(2)3)39-34(43)29(41(5)6)21-25-12-10-9-11-13-25/h9-16,18,22-24,28-29,31-33H,8,17,19-21H2,1-7H3,(H,38,44)(H,39,43)(H,40,45)/b18-16+
InChIKeyYTPWZBXRZAQHQB-FBMGVBCBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mucronine D (CHEBI:230305) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-[1-[(13E)-10-butan-2-yl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanamide
Manual XrefsDatabases
HMDB0029335HMDB
35032853ChemSpider