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CHEBI:204445 - Trichorovin-IVa

ChEBI IDCHEBI:204445
ChEBI NameTrichorovin-IVa
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H100N12O13
Net Charge0
Average Mass1161.498
Monoisotopic Mass1160.75328
SMILESCC(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(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)CC(C)C)C(C)C)C(C)C
InChIInChI=1S/C57H100N12O13/c1-30(2)26-36(29-70)59-48(76)40-20-18-24-68(40)53(81)56(14,15)66-47(75)39(28-32(5)6)60-46(74)38(27-31(3)4)61-49(77)41-21-19-25-69(41)54(82)57(16,17)67-51(79)44(34(9)10)64-50(78)43(33(7)8)63-45(73)37(22-23-42(58)72)62-52(80)55(12,13)65-35(11)71/h30-34,36-41,43-44,70H,18-29H2,1-17H3,(H2,58,72)(H,59,76)(H,60,74)(H,61,77)(H,62,80)(H,63,73)(H,64,78)(H,65,71)(H,66,75)(H,67,79)
InChIKeyCUFBHSCIAQRRRO-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-IVa (CHEBI:204445) 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]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanediamide
Manual XrefsDatabases
78444077ChemSpider