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CHEBI:199103 - Cicadapeptin II

ChEBI IDCHEBI:199103
ChEBI NameCicadapeptin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H90N10O11
Net Charge0
Average Mass1007.329
Monoisotopic Mass1006.67905
SMILESCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@H](CN)CC(C)C)[C@@H](C)CC)C(C)C
InChIInChI=1S/C50H90N10O11/c1-12-14-15-16-17-18-19-20-39(64)59-27-34(62)25-37(59)46(69)60-28-33(61)24-36(60)43(66)55-40(30(5)6)45(68)58-49(8,9)47(70)54-35(21-22-38(52)63)42(65)57-50(10,11)48(71)56-41(31(7)13-2)44(67)53-32(26-51)23-29(3)4/h29-37,40-41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,67)(H,54,70)(H,55,66)(H,56,71)(H,57,65)(H,58,68)/t31-,32-,33+,34+,35-,36-,37-,40-,41-/m0/s1
InChIKeyXARWTRNVQZILGP-AACUSYOXSA-N
Species of MetaboliteComponentSourceComments
Cordyceps (ncbitaxon:45234) - PubMed (15679316)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cicadapeptin II (CHEBI:199103) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-N-[1-[[(2S,3S)-1-[[(2S)-1-amino-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[[2-[[(2S)-2-[[(2S,4R)-1-[(2S,4R)-1-decanoyl-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]pentanediamide
Manual XrefsDatabases
9380452ChemSpider