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CHEBI:209184 - Trichodermide B

ChEBI IDCHEBI:209184
ChEBI NameTrichodermide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H102N12O13
Net Charge0
Average Mass1175.525
Monoisotopic Mass1174.76893
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(C)=O)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)CC(C)C)[C@@H](C)CC)C(C)C
InChIInChI=1S/C58H102N12O13/c1-18-34(9)44(50(78)61-39(29-32(5)6)47(75)67-57(14,15)54(82)69-26-20-22-40(69)48(76)60-37(30-71)28-31(3)4)65-49(77)41-23-21-27-70(41)55(83)58(16,17)68-52(80)43(33(7)8)63-51(79)45(35(10)19-2)64-46(74)38(24-25-42(59)73)62-53(81)56(12,13)66-36(11)72/h31-35,37-41,43-45,71H,18-30H2,1-17H3,(H2,59,73)(H,60,76)(H,61,78)(H,62,81)(H,63,79)(H,64,74)(H,65,77)(H,66,72)(H,67,75)(H,68,80)/t34-,35-,37-,38-,39-,40-,41-,43-,44-,45-/m0/s1
InChIKeyLXRKJCRDBCXEOB-QGSMRZEFSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (29528227)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichodermide B (CHEBI:209184) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-N-[(2S,3S)-1-[[(2S)-1-[[1-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-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-oxopentan-2-yl]pentanediamide
Manual XrefsDatabases
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