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CHEBI:226030 - Trichoderin A

ChEBI IDCHEBI:226030
ChEBI NameTrichoderin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H110N10O12
Net Charge0
Average Mass1163.598
Monoisotopic Mass1162.83047
SMILESCCCCCCCC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@H](O)CC(=O)CC)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)CCO)C(C)C)[C@@H](C)CC
InChIInChI=1S/C60H110N10O12/c1-19-22-23-24-25-26-28-40(8)52(78)70-30-27-29-45(70)49(75)62-44(34-38(6)33-43(73)35-42(72)21-3)48(74)65-59(14,15)55(81)68-58(12,13)54(80)64-47(39(7)20-2)50(76)63-46(37(4)5)51(77)66-60(16,17)56(82)67-57(10,11)53(79)61-41(9)36-69(18)31-32-71/h37-41,43-47,71,73H,19-36H2,1-18H3,(H,61,79)(H,62,75)(H,63,76)(H,64,80)(H,65,74)(H,66,77)(H,67,82)(H,68,81)/t38-,39+,40-,41+,43+,44+,45+,46+,47+/m1/s1
InChIKeyRGISVIXWCPPDKV-CHARKANRSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies (ncbitaxon:1715253) - PubMed (20483615)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichoderin A (CHEBI:226030) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-N-[(2S,4S,6S)-6-hydroxy-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
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