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CHEBI:208985 - Talaropeptide C

ChEBI IDCHEBI:208985
ChEBI NameTalaropeptide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H113N11O14
Net Charge0
Average Mass1296.704
Monoisotopic Mass1295.84685
SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)N(C)C(C)=O)C(C)C)[C@@H](C)O
InChIInChI=1S/C67H113N11O14/c1-25-42(14)56(59(83)68-47(67(91)92)34-36(2)3)77(24)62(86)49(35-46-30-27-26-28-31-46)72(19)64(88)53(39(8)9)76(23)65(89)54(40(10)11)74(21)61(85)48-32-29-33-78(48)66(90)55(41(12)13)75(22)63(87)51(44(16)79)70-57(81)50(37(4)5)69-58(82)52(38(6)7)73(20)60(84)43(15)71(18)45(17)80/h26-28,30-31,36-44,47-56,79H,25,29,32-35H2,1-24H3,(H,68,83)(H,69,82)(H,70,81)(H,91,92)/t42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
InChIKeyPQWHSBFCJLNLLH-BKKSKTJNSA-N
Species of MetaboliteComponentSourceComments
Talaromycesspecies (ncbitaxon:1707706) - PubMed (30234104)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Talaropeptide C (CHEBI:208985) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl(methyl)amino]propanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Manual XrefsDatabases
71048871ChemSpider