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CHEBI:202703 - Trichogin A IV

ChEBI IDCHEBI:202703
ChEBI NameTrichogin A IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H95N11O12
Net Charge0
Average Mass1066.397
Monoisotopic Mass1065.71617
SMILESCCCCCCCC(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)[C@@H](C)CC
InChIInChI=1S/C52H95N11O12/c1-16-18-19-20-21-22-38(65)61-50(10,11)47(73)55-28-41(68)59-37(25-33(7)8)45(71)62-51(12,13)48(74)54-26-39(66)53-27-40(67)58-36(24-32(5)6)44(70)63-52(14,15)49(75)56-29-42(69)60-43(34(9)17-2)46(72)57-35(30-64)23-31(3)4/h31-37,43,64H,16-30H2,1-15H3,(H,53,66)(H,54,74)(H,55,73)(H,56,75)(H,57,72)(H,58,67)(H,59,68)(H,60,69)(H,61,65)(H,62,71)(H,63,70)/t34-,35-,36-,37-,43-/m0/s1
InChIKeyLZAAXJCEERCDPT-CKFFZNTQSA-N
Species of MetaboliteComponentSourceComments
Trichoderma longibrachiatum (ncbitaxon:5548) - DOI (10.1021/ja00032a035)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichogin A IV (CHEBI:202703) is a polypeptide (CHEBI:15841)
IUPAC Name 
N-[1-[[2-[[(2S)-1-[[1-[[2-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide
Manual XrefsDatabases
78436905ChemSpider