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CHEBI:210709 - Aspereline F

ChEBI IDCHEBI:210709
ChEBI NameAspereline F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H82N10O11
Net Charge0
Average Mass951.221
Monoisotopic Mass950.61645
SMILESCC[C@H](C)[C@H](NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(C)=O)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C46H82N10O11/c1-19-26(6)32(50-39(65)43(11,12)53-35(61)31(25(4)5)48-34(60)30(24(2)3)49-38(64)42(9,10)51-28(8)58)36(62)54-45(15,16)40(66)55-44(13,14)37(63)47-27(7)33(59)52-46(17,18)41(67)56-22-20-21-29(56)23-57/h24-27,29-32,57H,19-23H2,1-18H3,(H,47,63)(H,48,60)(H,49,64)(H,50,65)(H,51,58)(H,52,59)(H,53,61)(H,54,62)(H,55,66)/t26-,27-,29-,30-,31-,32-/m0/s1
InChIKeyBAAJDOCUARFBOQ-BJBMLRQCSA-N
Species of MetaboliteComponentSourceComments
Trichoderma asperellum (ncbitaxon:101201) - PubMed (19514743)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aspereline F (CHEBI:210709) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[(2S)-1-[[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-3-methylpentanamide
Manual XrefsDatabases
27024083ChemSpider