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CHEBI:209191 - Trichodermide C

ChEBI IDCHEBI:209191
ChEBI NameTrichodermide C
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)(CC)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)C(C)C)[C@@H](C)CC)C(C)C
InChIInChI=1S/C58H102N12O13/c1-18-34(10)44(50(78)60-38(29-31(4)5)47(75)67-56(13,14)54(82)69-27-21-23-40(69)48(76)61-39(30-71)32(6)7)65-49(77)41-24-22-28-70(41)55(83)57(15,16)68-52(80)43(33(8)9)63-51(79)45(35(11)19-2)64-46(74)37(25-26-42(59)73)62-53(81)58(17,20-3)66-36(12)72/h31-35,37-41,43-45,71H,18-30H2,1-17H3,(H2,59,73)(H,60,78)(H,61,76)(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-,58+/m0/s1
InChIKeyJVRSREFREMTLSJ-UTHFTXNQSA-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 C (CHEBI:209191) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2R)-2-acetamido-2-methylbutanoyl]amino]-N-[(2S,3S)-1-[[(2S)-1-[[1-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-1-hydroxy-3-methylbutan-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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