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CHEBI:213755 - Trichopolyn I

ChEBI IDCHEBI:213755
ChEBI NameTrichopolyn I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H111N11O13
Net Charge0
Average Mass1206.623
Monoisotopic Mass1205.83628
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)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)CCO)[C@@H](C)CC
InChIInChI=1S/C61H111N11O13/c1-19-22-23-24-25-26-28-39(6)53(81)72-30-27-29-46(72)51(79)65-45(34-37(4)33-44(75)35-43(74)21-3)50(78)63-41(8)48(76)67-61(16,17)57(85)70-59(12,13)55(83)66-47(38(5)20-2)52(80)64-42(9)49(77)68-60(14,15)56(84)69-58(10,11)54(82)62-40(7)36-71(18)31-32-73/h37-42,44-47,73,75H,19-36H2,1-18H3,(H,62,82)(H,63,78)(H,64,80)(H,65,79)(H,66,83)(H,67,76)(H,68,77)(H,69,84)(H,70,85)/t37-,38+,39-,40+,41+,42+,44+,45+,46+,47+/m1/s1
InChIKeyOWSWXCJWFTUXHT-DKLQKDBXSA-N
Species of MetaboliteComponentSourceComments
Trichoderma polysporum (ncbitaxon:40695) - DOI (10.1039/c39810000585)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichopolyn I (CHEBI:213755) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-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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