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CHEBI:224775 - Trichopolyn III

ChEBI IDCHEBI:224775
ChEBI NameTrichopolyn III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H109N11O13
Net Charge0
Average Mass1192.596
Monoisotopic Mass1191.82063
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)N[C@@H](C)C(=O)N[C@@H](C)CN(C)CCO)[C@@H](C)CC
InChIInChI=1S/C60H109N11O13/c1-18-21-22-23-24-25-27-38(6)54(81)71-29-26-28-46(71)52(79)65-45(33-36(4)32-44(74)34-43(73)20-3)51(78)62-41(9)49(76)68-60(15,16)57(84)69-59(13,14)56(83)66-47(37(5)19-2)53(80)63-42(10)50(77)67-58(11,12)55(82)64-40(8)48(75)61-39(7)35-70(17)30-31-72/h36-42,44-47,72,74H,18-35H2,1-17H3,(H,61,75)(H,62,78)(H,63,80)(H,64,82)(H,65,79)(H,66,83)(H,67,77)(H,68,76)(H,69,84)/t36-,37+,38-,39+,40+,41+,42+,44+,45+,46+,47+/m1/s1
InChIKeyPQSSMDXDNWMTHK-QYBJUVJMSA-N
Species of MetaboliteComponentSourceComments
Trichoderma polysporum (ncbitaxon:40695) - PubMed (10617078)
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 III (CHEBI:224775) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[(2S,4S,6S)-6-hydroxy-1-[[(2S)-1-[[1-[[1-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-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
78438296ChemSpider