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CHEBI:204497 - Trichorovin-IIb

ChEBI IDCHEBI:204497
ChEBI NameTrichorovin-IIb
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H98N12O13
Net Charge0
Average Mass1147.471
Monoisotopic Mass1146.73763
SMILESCC(=O)NC(C)(C)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(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)C(C)C)C(C)C
InChIInChI=1S/C56H98N12O13/c1-29(2)24-35(44(72)59-37(26-31(5)6)47(75)65-55(14,15)52(80)68-23-19-21-41(68)49(77)61-39(28-69)32(7)8)60-48(76)40-20-18-22-67(40)53(81)56(16,17)66-50(78)43(33(9)10)63-46(74)36(25-30(3)4)58-45(73)38(27-42(57)71)62-51(79)54(12,13)64-34(11)70/h29-33,35-41,43,69H,18-28H2,1-17H3,(H2,57,71)(H,58,73)(H,59,72)(H,60,76)(H,61,77)(H,62,79)(H,63,74)(H,64,70)(H,65,75)(H,66,78)
InChIKeyOTTOWIQFPZHDMS-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-IIb (CHEBI:204497) is a peptide (CHEBI:16670)
IUPAC Name 
2-[(2-acetamido-2-methylpropanoyl)amino]-N-[1-[[1-[[1-[2-[[1-[[1-[[1-[2-[(1-hydroxy-3-methylbutan-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]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide
Manual XrefsDatabases
78444079ChemSpider