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CHEBI:203006 - Mullinamide B

ChEBI IDCHEBI:203006
ChEBI NameMullinamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23N3O5S
Net Charge0
Average Mass357.432
Monoisotopic Mass357.13584
SMILESCSCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC1=O
InChIInChI=1S/C15H23N3O5S/c1-24-8-6-9-13(21)17-10(4-5-12(19)20)15(23)18-7-2-3-11(18)14(22)16-9/h9-11H,2-8H2,1H3,(H,16,22)(H,17,21)(H,19,20)/t9-,10-,11+/m0/s1
InChIKeyBINXEQIRYMUAAD-GARJFASQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RM-27-46 (ncbitaxon:1429102) - PubMed (24713874)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mullinamide B (CHEBI:203006) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3S,6S,11aR)-3-(2-methylsulanylethyl)-1,4,7-trioxo-2,3,5,6,9,10,11,11a-octahydropyrrolo[1,2-a][1,4,7]triazonin-6-yl]propanoic acid
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78440148ChemSpider