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CHEBI:225487 - Mabuniamide

ChEBI IDCHEBI:225487
ChEBI NameMabuniamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H87N9O11
Net Charge0
Average Mass1086.386
Monoisotopic Mass1085.65250
SMILESCCCC(=O)N(C)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC)C(C)C)C(C)C
InChIInChI=1S/C58H87N9O11/c1-14-23-47(68)62(9)39(8)54(73)66-30-21-28-43(66)56(75)64(11)45(33-40-24-17-15-18-25-40)51(70)60-42(32-36(2)3)55(74)65(12)50(38(6)7)53(72)61-49(37(4)5)52(71)59-35-48(69)63(10)46(34-41-26-19-16-20-27-41)57(76)67-31-22-29-44(67)58(77)78-13/h15-20,24-27,36-39,42-46,49-50H,14,21-23,28-35H2,1-13H3,(H,59,71)(H,60,70)(H,61,72)/t39-,42-,43-,44-,45-,46+,49-,50+/m0/s1
InChIKeyBUBPCYJNLILLLQ-KZHFVTEZSA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - PubMed (31549837)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mabuniamide (CHEBI:225487) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-1-[(2R)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[butanoyl(methyl)amino]propanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Manual XrefsDatabases
81360808ChemSpider