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CHEBI:209205 - Trichodermide E

ChEBI IDCHEBI:209205
ChEBI NameTrichodermide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H100N12O13
Net Charge0
Average Mass1161.498
Monoisotopic Mass1160.75328
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@](C)(CC)NC(C)=O)C(C)C)C(C)C)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
InChIInChI=1S/C57H100N12O13/c1-18-34(11)44(50(78)59-37(28-30(3)4)46(74)66-55(13,14)53(81)68-26-20-22-39(68)47(75)60-38(29-70)31(5)6)64-48(76)40-23-21-27-69(40)54(82)56(15,16)67-51(79)43(33(9)10)63-49(77)42(32(7)8)62-45(73)36(24-25-41(58)72)61-52(80)57(17,19-2)65-35(12)71/h30-34,36-40,42-44,70H,18-29H2,1-17H3,(H2,58,72)(H,59,78)(H,60,75)(H,61,80)(H,62,73)(H,63,77)(H,64,76)(H,65,71)(H,66,74)(H,67,79)/t34-,36-,37-,38+,39-,40-,42-,43-,44-,57+/m0/s1
InChIKeyNTEXANIROJPPAA-RUWAVYBASA-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 E (CHEBI:209205) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2R)-2-acetamido-2-methylbutanoyl]amino]-N-[(2S)-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-oxobutan-2-yl]pentanediamide
Manual XrefsDatabases
78440577ChemSpider