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CHEBI:211912 - Blastmycetin E

ChEBI IDCHEBI:211912
ChEBI NameBlastmycetin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H41N3O2
Net Charge0
Average Mass451.655
Monoisotopic Mass451.31988
SMILESC/C1=C/Cn2cc3c4c(ccc(c42)[C@@H](C(C)(C)C)CC1)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C3
InChIInChI=1S/C28H41N3O2/c1-17(2)25-27(33)29-20(16-32)14-19-15-31-13-12-18(3)8-10-22(28(4,5)6)21-9-11-23(30(25)7)24(19)26(21)31/h9,11-12,15,17,20,22,25,32H,8,10,13-14,16H2,1-7H3,(H,29,33)/b18-12-/t20-,22-,25-/m0/s1
InChIKeyWCIQDSKJGCJFDR-WIICECNVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/S0040-4039(01)93726-8)
ChEBI Ontology
Outgoing Relation(s)
Blastmycetin E (CHEBI:211912) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(3Z,7R,13S,16S)-7-tert-butyl-16-(hydroxymethyl)-4,12-dimethyl-13-propan-2-yl-1,12,15-triazatetracyclo[16.2.1.08,20.011,19]henicosa-3,8(20),9,11(19),18(21)-pentaen-14-one
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10320924ChemSpider