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CHEBI:208306 - Trichobrachin-IIA

ChEBI IDCHEBI:208306
ChEBI NameTrichobrachin-IIA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H110N16O18
Net Charge0
Average Mass1391.678
Monoisotopic Mass1390.81840
SMILESCC(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C64H110N16O18/c1-31(2)29-38(47(87)77-64(22,23)57(98)80-28-24-25-39(80)48(88)71-43(33(5)6)50(90)91)69-41(83)30-66-51(92)58(10,11)78-49(89)42(32(3)4)72-55(96)61(16,17)76-46(86)37(26-27-40(65)82)70-54(95)62(18,19)79-56(97)63(20,21)75-45(85)35(8)68-53(94)60(14,15)74-44(84)34(7)67-52(93)59(12,13)73-36(9)81/h31-35,37-39,42-43H,24-30H2,1-23H3,(H2,65,82)(H,66,92)(H,67,93)(H,68,94)(H,69,83)(H,70,95)(H,71,88)(H,72,96)(H,73,81)(H,74,84)(H,75,85)(H,76,86)(H,77,87)(H,78,89)(H,79,97)(H,90,91)
InChIKeyXRDRZVACMTUBSJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma longibrachiatum (ncbitaxon:5548) - PubMed (16541408)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichobrachin-IIA (CHEBI:208306) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
Manual XrefsDatabases
78444882ChemSpider