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CHEBI:208978 - Talaropeptide B

ChEBI IDCHEBI:208978
ChEBI NameTalaropeptide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H120N12O14
Net Charge0
Average Mass1353.800
Monoisotopic Mass1352.90470
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](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC)C(C)C)[C@@H](C)O)C(C)C
InChIInChI=1S/C70H120N12O14/c1-26-44(16)58(62(87)72-48(70(95)96)35-37(2)3)81(25)65(90)50(36-47-31-28-27-29-32-47)76(20)67(92)55(41(10)11)80(24)68(93)56(42(12)13)78(22)64(89)49-33-30-34-82(49)69(94)57(43(14)15)79(23)66(91)52(39(6)7)74-60(85)53(46(18)83)75-59(84)51(38(4)5)73-61(86)54(40(8)9)77(21)63(88)45(17)71-19/h27-29,31-32,37-46,48-58,71,83H,26,30,33-36H2,1-25H3,(H,72,87)(H,73,86)(H,74,85)(H,75,84)(H,95,96)/t44-,45-,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
InChIKeyCWUNJRMISPNJFK-DTNNBZDOSA-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 B (CHEBI:208978) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Manual XrefsDatabases
71048870ChemSpider