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CHEBI:219141 - Macyranone B

ChEBI IDCHEBI:219141
ChEBI NameMacyranone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H53N5O11
Net Charge0
Average Mass719.833
Monoisotopic Mass719.37416
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)NC1(CC(C)C)OCCC1=O
InChIInChI=1S/C35H53N5O11/c1-18(2)15-24(31(46)40-35(17-19(3)4)26(43)13-14-51-35)36-32(47)27(21(6)41)39-33(48)28(22(7)42)38-30(45)20(5)29(44)37-25(34(49)50)16-23-11-9-8-10-12-23/h8-12,18-22,24-25,27-28,41-42H,13-17H2,1-7H3,(H,36,47)(H,37,44)(H,38,45)(H,39,48)(H,40,46)(H,49,50)/t20?,21-,22+,24-,25-,27-,28-,35?/m0/s1
InChIKeyMSPVQUNLNAOKSA-UGPVNDJUSA-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 B (CHEBI:219141) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[3-[[(2S,3R)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-[[(2S)-4-methyl-1-[[2-(2-methylpropyl)-3-oxooxolan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-methyl-3-oxopropanoyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
78442822ChemSpider