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CHEBI:208992 - Talaropeptide D

ChEBI IDCHEBI:208992
ChEBI NameTalaropeptide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H122N12O15
Net Charge0
Average Mass1395.837
Monoisotopic Mass1394.91526
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)N(C)C(C)=O)C(C)C)[C@@H](C)O)C(C)C
InChIInChI=1S/C72H122N12O15/c1-27-45(16)60(64(90)73-50(72(98)99)36-38(2)3)83(26)67(93)52(37-49-32-29-28-30-33-49)78(21)69(95)57(42(10)11)82(25)70(96)58(43(12)13)80(23)66(92)51-34-31-35-84(51)71(97)59(44(14)15)81(24)68(94)54(40(6)7)75-62(88)55(47(18)85)76-61(87)53(39(4)5)74-63(89)56(41(8)9)79(22)65(91)46(17)77(20)48(19)86/h28-30,32-33,38-47,50-60,85H,27,31,34-37H2,1-26H3,(H,73,90)(H,74,89)(H,75,88)(H,76,87)(H,98,99)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
InChIKeyZVKSBSDUFIZVND-JTXVFRHSSA-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 D (CHEBI:208992) 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)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl(methyl)amino]propanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]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
71048872ChemSpider