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CHEBI:209178 - Trichodermide A

ChEBI IDCHEBI:209178
ChEBI NameTrichodermide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H104N12O13
Net Charge0
Average Mass1189.552
Monoisotopic Mass1188.78458
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)CC(C)C)[C@@H](C)CC)C(C)C
InChIInChI=1S/C59H104N12O13/c1-18-35(10)45(51(79)62-40(30-33(6)7)48(76)68-57(13,14)55(83)70-27-21-23-41(70)49(77)61-38(31-72)29-32(4)5)66-50(78)42-24-22-28-71(42)56(84)58(15,16)69-53(81)44(34(8)9)64-52(80)46(36(11)19-2)65-47(75)39(25-26-43(60)74)63-54(82)59(17,20-3)67-37(12)73/h32-36,38-42,44-46,72H,18-31H2,1-17H3,(H2,60,74)(H,61,77)(H,62,79)(H,63,82)(H,64,80)(H,65,75)(H,66,78)(H,67,73)(H,68,76)(H,69,81)/t35-,36-,38-,39-,40-,41-,42-,44-,45-,46-,59+/m0/s1
InChIKeyWNHFGOLUCPRIBO-BYRIWZBNSA-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 A (CHEBI:209178) 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-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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