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CHEBI:202643 - Tasiamide A

ChEBI IDCHEBI:202643
ChEBI NameTasiamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H67N7O10
Net Charge0
Average Mass830.037
Monoisotopic Mass829.49494
SMILESCC[C@H](C)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC
InChIInChI=1S/C42H67N7O10/c1-10-26(5)35(46-37(53)30(19-20-33(43)50)48(8)40(56)29(22-25(3)4)45-39(55)36(52)27(6)11-2)38(54)44-24-34(51)47(7)32(23-28-16-13-12-14-17-28)41(57)49-21-15-18-31(49)42(58)59-9/h12-14,16-17,25-27,29-32,35-36,52H,10-11,15,18-24H2,1-9H3,(H2,43,50)(H,44,54)(H,45,55)(H,46,53)/t26-,27-,29-,30-,31-,32+,35-,36-/m0/s1
InChIKeyLNEYJLFOLWPLKO-JQEFZHILSA-N
Species of MetaboliteComponentSourceComments
Symploca (ncbitaxon:105591) - PubMed (12350160)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tasiamide A (CHEBI:202643) is a oligopeptide (CHEBI:25676)
IUPAC Name 
methyl (2S)-1-[(2R)-2-[[2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-hydroxy-3-methylpentanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Manual XrefsDatabases
553050ChemSpider