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CHEBI:219134 - Macyranone A

ChEBI IDCHEBI:219134
ChEBI NameMacyranone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42N4O10
Net Charge0
Average Mass606.673
Monoisotopic Mass606.29009
SMILESCC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)[C@H](C)O)C(=O)[C@H]1CO1
InChIInChI=1S/C29H42N4O10/c1-14(2)11-19(24(36)21-13-43-21)30-27(39)22(16(4)34)33-28(40)23(17(5)35)32-26(38)15(3)25(37)31-20(29(41)42)12-18-9-7-6-8-10-18/h6-10,14-17,19-23,34-35H,11-13H2,1-5H3,(H,30,39)(H,31,37)(H,32,38)(H,33,40)(H,41,42)/t15?,16-,17+,19-,20-,21+,22-,23-/m0/s1
InChIKeyCTSHOLUODOXUMF-IDMHJFSFSA-N
Species of MetaboliteComponentSourceComments
Cystobacter (ncbitaxon:42) - PubMed (26050527)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Macyranone A (CHEBI:219134) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[3-[[(2S,3R)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-[[(2S)-4-methyl-1-[(2R)-oxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-methyl-3-oxopropanoyl]amino]-3-phenylpropanoic acid
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35143531ChemSpider