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CHEBI:220263 - Tasiamide C

ChEBI IDCHEBI:220263
ChEBI NameTasiamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H62N6O11
Net Charge0
Average Mass802.967
Monoisotopic Mass802.44766
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)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C40H62N6O11/c1-11-24(6)31(43-34(49)28(21-30(41)47)44(8)38(53)33(23(4)5)57-40(55)32(48)22(2)3)35(50)42-25(7)36(51)45(9)29(20-26-16-13-12-14-17-26)37(52)46-19-15-18-27(46)39(54)56-10/h12-14,16-17,22-25,27-29,31-33,48H,11,15,18-21H2,1-10H3,(H2,41,47)(H,42,50)(H,43,49)/t24-,25-,27-,28-,29-,31-,32?,33?/m0/s1
InChIKeyBYTYMIKFZHSRBS-BJKRCKPDSA-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 C (CHEBI:220263) 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]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate