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CHEBI:199494 - Trichorovin-IXa

ChEBI IDCHEBI:199494
ChEBI NameTrichorovin-IXa
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H102N12O13
Net Charge0
Average Mass1175.525
Monoisotopic Mass1174.76893
SMILESCC(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CO)CC(C)C)C(C)C
InChIInChI=1S/C58H102N12O13/c1-31(2)26-37(30-71)60-50(78)42-20-18-24-69(42)54(82)57(14,15)67-48(76)40(28-33(5)6)61-47(75)39(27-32(3)4)62-51(79)43-21-19-25-70(43)55(83)58(16,17)68-49(77)41(29-34(7)8)63-52(80)45(35(9)10)65-46(74)38(22-23-44(59)73)64-53(81)56(12,13)66-36(11)72/h31-35,37-43,45,71H,18-30H2,1-17H3,(H2,59,73)(H,60,78)(H,61,75)(H,62,79)(H,63,80)(H,64,81)(H,65,74)(H,66,72)(H,67,76)(H,68,77)
InChIKeySBAIVQLISRIJKN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma viride (ncbitaxon:5547) - PubMed (7641309)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichorovin-IXa (CHEBI:199494) is a peptide (CHEBI:16670)
IUPAC Name 
2-[(2-acetamido-2-methylpropanoyl)amino]-N-[1-[[1-[[1-[2-[[1-[[1-[[1-[2-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanediamide
Manual XrefsDatabases
78443915ChemSpider