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CHEBI:213097 - Tasiamid E

ChEBI IDCHEBI:213097
ChEBI NameTasiamid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H67N7O10
Net Charge0
Average Mass830.037
Monoisotopic Mass829.49494
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)CC(C)C)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C42H67N7O10/c1-10-27(6)36(46-37(53)30(18-19-34(43)51)48(8)40(56)29(21-25(2)3)45-38(54)33(50)22-26(4)5)39(55)44-24-35(52)47(7)32(23-28-15-12-11-13-16-28)41(57)49-20-14-17-31(49)42(58)59-9/h11-13,15-16,25-27,29-33,36,50H,10,14,17-24H2,1-9H3,(H2,43,51)(H,44,55)(H,45,54)(H,46,53)/t27-,29-,30-,31-,32+,33-,36-/m0/s1
InChIKeyNJVPZEXIAOQHHV-RLMVSLMISA-N
Species of MetaboliteComponentSourceComments
Symploca (ncbitaxon:105591) - PubMed (24588245)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tasiamid E (CHEBI:213097) is a oligopeptide (CHEBI:25676)
IUPAC Name 
methyl (2S)-1-[(2R)-2-[[2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Manual XrefsDatabases
32674732ChemSpider