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CHEBI:208971 - Talaropeptide A

ChEBI IDCHEBI:208971
ChEBI NameTalaropeptide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H111N11O13
Net Charge0
Average Mass1254.667
Monoisotopic Mass1253.83628
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)NC)C(C)C)[C@@H](C)O
InChIInChI=1S/C65H111N11O13/c1-24-41(14)54(57(80)67-45(65(88)89)33-35(2)3)75(23)60(83)47(34-44-29-26-25-27-30-44)70(18)62(85)51(38(8)9)74(22)63(86)52(39(10)11)72(20)59(82)46-31-28-32-76(46)64(87)53(40(12)13)73(21)61(84)49(43(16)77)69-55(78)48(36(4)5)68-56(79)50(37(6)7)71(19)58(81)42(15)66-17/h25-27,29-30,35-43,45-54,66,77H,24,28,31-34H2,1-23H3,(H,67,80)(H,68,79)(H,69,78)(H,88,89)/t41-,42-,43+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
InChIKeyXDMCELQXXFNJAG-DSFXNNMOSA-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 A (CHEBI:208971) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(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]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Manual XrefsDatabases
71048869ChemSpider