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CHEBI:212243 - Trichoderin B

ChEBI IDCHEBI:212243
ChEBI NameTrichoderin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H108N10O12
Net Charge0
Average Mass1149.571
Monoisotopic Mass1148.81482
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(C)C
InChIInChI=1S/C59H108N10O12/c1-19-21-22-23-24-25-27-39(8)51(77)69-29-26-28-44(69)48(74)61-43(33-38(7)32-42(72)34-41(71)20-2)47(73)64-58(14,15)54(80)67-57(12,13)53(79)63-45(36(3)4)49(75)62-46(37(5)6)50(76)65-59(16,17)55(81)66-56(10,11)52(78)60-40(9)35-68(18)30-31-70/h36-40,42-46,70,72H,19-35H2,1-18H3,(H,60,78)(H,61,74)(H,62,75)(H,63,79)(H,64,73)(H,65,76)(H,66,81)(H,67,80)/t38-,39-,40+,42+,43+,44+,45+,46+/m1/s1
InChIKeyKBWBVJMZIOXEBP-ULIOYMGRSA-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 B (CHEBI:212243) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-N-[(2S,4S,6S)-6-hydroxy-1-[[1-[[1-[[(2S)-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-oxobutan-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
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