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CHEBI:204635 - Iminimycin B

ChEBI IDCHEBI:204635
ChEBI NameIminimycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27N2O3S
Net Charge+1
Average Mass399.536
Monoisotopic Mass399.17369
SMILESC/C=C(C)/C=C/C=C/[C@H]1[C@@H]2C[C@@H]2c2c(SC[C@H](NC(C)=O)C(=O)O)ccc[n+]21
InChIInChI=1S/C22H26N2O3S/c1-4-14(2)8-5-6-9-19-16-12-17(16)21-20(10-7-11-24(19)21)28-13-18(22(26)27)23-15(3)25/h4-11,16-19H,12-13H2,1-3H3,(H-,23,25,26,27)/p+1/b8-5+,9-6+,14-4+/t16-,17+,18+,19+/m1/s1
InChIKeyWAROMXVVDNYFEL-IKWXCPILSA-O
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tetlet.2016.06.040)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Iminimycin B (CHEBI:204635) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2R)-3-[[(1aR,2S,7bS)-2-[(1E,3E,5E)-5-methylhepta-1,3,5-trienyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-3-ium-7-yl]sulanyl]-2-acetamidopropanoic acid
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78443817ChemSpider