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CHEBI:198732 - Aspereline G

ChEBI IDCHEBI:198732
ChEBI NameAspereline G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H82N10O13
Net Charge0
Average Mass995.230
Monoisotopic Mass994.60628
SMILESCCC(C)[C@H](NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1COC(C)=O
InChIInChI=1S/C47H82N10O13/c1-19-26(4)32(50-37(65)42(7,8)53-34(62)31(25(2)3)49-38(66)44(11,12)55-39(67)45(13,14)51-27(5)59)35(63)54-46(15,16)40(68)56-43(9,10)36(64)48-30(23-58)33(61)52-47(17,18)41(69)57-22-20-21-29(57)24-70-28(6)60/h25-26,29-32,58H,19-24H2,1-18H3,(H,48,64)(H,49,66)(H,50,65)(H,51,59)(H,52,61)(H,53,62)(H,54,63)(H,55,67)(H,56,68)/t26?,29-,30-,31-,32-/m0/s1
InChIKeyJXSPVYCGDZZXPS-NEEIGIFCSA-N
Species of MetaboliteComponentSourceComments
Trichoderma asperellum (ncbitaxon:101201) - DOI (10.3987/com-12-12644)
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 G (CHEBI:198732) is a peptide (CHEBI:16670)
IUPAC Name 
[(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[(2-acetamido-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxypropanoyl]amino]-2-methylpropanoyl]pyrrolidin-2-yl]methyl acetate
Manual XrefsDatabases
28637703ChemSpider