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CHEBI:213108 - Tasiamid D

ChEBI IDCHEBI:213108
ChEBI NameTasiamid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H62N6O11
Net Charge0
Average Mass802.967
Monoisotopic Mass802.44766
SMILESCC[C@H](C)[C@@H](NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](OC(=O)[C@@H](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/C40H62N6O11/c1-10-24(6)31(44-35(50)28(18-19-30(41)47)45(8)38(53)33(23(4)5)57-40(55)32(48)22(2)3)36(51)42-25(7)34(49)43-27(21-26-15-12-11-13-16-26)37(52)46-20-14-17-29(46)39(54)56-9/h11-13,15-16,22-25,27-29,31-33,48H,10,14,17-21H2,1-9H3,(H2,41,47)(H,42,51)(H,43,49)(H,44,50)/t24-,25-,27+,28-,29-,31+,32-,33+/m0/s1
InChIKeyMESKRLDNXYODAI-KCSPEMMSSA-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 D (CHEBI:213108) is a depsipeptide (CHEBI:23643)
IUPAC Name 
methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2R,3S)-2-[[(2S)-5-amino-2-[[(2R)-2-[(2S)-2-hydroxy-3-methylbutanoyl]oxy-3-methylbutanoyl]-methylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate