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CHEBI:219201 - Jahanane

ChEBI IDCHEBI:219201
ChEBI NameJahanane
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SubmitterMetaboLights
DownloadsMolfile
FormulaC60H98N8O9
Net Charge0
Average Mass1075.491
Monoisotopic Mass1074.74568
SMILESCCCCCC[C@H](C)C[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(C)=O)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C60H98N8O9/c1-17-18-19-21-27-41(8)36-42(9)53(70)61(12)43(10)54(71)67-34-25-31-47(67)55(72)63(14)51(39(4)5)59(76)65(16)52(40(6)7)60(77)64(15)50(38(2)3)58(75)62(13)49(37-45-28-22-20-23-29-45)57(74)68-35-26-32-48(68)56(73)66-33-24-30-46(66)44(11)69/h20,22-23,28-29,38-43,46-52H,17-19,21,24-27,30-37H2,1-16H3/t41-,42+,43-,46-,47-,48-,49-,50-,51-,52-/m0/s1
InChIKeyYXLLSDGWDOATCZ-CMRAMGONSA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - PubMed (30101588)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Jahanane (CHEBI:219201) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[(2S)-2-[[(2R,4S)-2,4-dimethyldecanoyl]-methylamino]propanoyl]-N-methylpyrrolidine-2-carboxamide
Manual XrefsDatabases
68007493ChemSpider