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CHEBI:220117 - Aspereline D

ChEBI IDCHEBI:220117
ChEBI NameAspereline D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H78N10O11
Net Charge0
Average Mass923.167
Monoisotopic Mass922.58515
SMILESCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@H](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)C(C)C)C(C)C
InChIInChI=1S/C44H78N10O11/c1-23(2)28(47-35(62)41(11,12)52-36(63)42(13,14)48-26(6)56)31(58)50-39(7,8)34(61)46-29(24(3)4)32(59)51-43(15,16)37(64)53-40(9,10)33(60)45-25(5)30(57)49-44(17,18)38(65)54-21-19-20-27(54)22-55/h23-25,27-29,55H,19-22H2,1-18H3,(H,45,60)(H,46,61)(H,47,62)(H,48,56)(H,49,57)(H,50,58)(H,51,59)(H,52,63)(H,53,64)/t25-,27-,28-,29-/m0/s1
InChIKeyZNXWJXMRXSYRMW-AMEOFWRWSA-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 D (CHEBI:220117) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[2-[(2-acetamido-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-N-[1-[[(2S)-1-[[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]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-3-methylbutanamide
Manual XrefsDatabases
24625949ChemSpider