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CHEBI:220267 - Tasiamide D

ChEBI IDCHEBI:220267
ChEBI NameTasiamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H60N6O11
Net Charge0
Average Mass788.940
Monoisotopic Mass788.43201
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)N(C)C(=O)C(OC(=O)C(O)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C39H60N6O11/c1-10-23(6)30(43-34(49)28(20-29(40)46)44(8)37(52)32(22(4)5)56-39(54)31(47)21(2)3)35(50)41-24(7)33(48)42-26(19-25-15-12-11-13-16-25)36(51)45-18-14-17-27(45)38(53)55-9/h11-13,15-16,21-24,26-28,30-32,47H,10,14,17-20H2,1-9H3,(H2,40,46)(H,41,50)(H,42,48)(H,43,49)/t23-,24-,26-,27-,28-,30-,31?,32?/m0/s1
InChIKeyJNEWHMYRZGHQPR-QKLHTOMSSA-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)
Tasiamide D (CHEBI:220267) is a depsipeptide (CHEBI:23643)
IUPAC Name 
methyl (2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[2-(2-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoyl]-methylamino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate