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CHEBI:204543 - Roseoferin E3

ChEBI IDCHEBI:204543
ChEBI NameRoseoferin E3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H102N10O12
Net Charge0
Average Mass1107.490
Monoisotopic Mass1106.76787
SMILESCCCCCCC(C)C(=O)N1CCCC1C(=O)NC(CC(C)CC(O)CC(=O)CC)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)CN(C)CCO)C(C)C)C(C)C
InChIInChI=1S/C56H102N10O12/c1-18-20-21-22-24-36(8)50(75)66-26-23-25-42(66)47(72)59-41(30-35(7)29-40(69)31-39(68)19-2)46(71)58-38(10)45(70)62-54(11,12)52(77)61-43(33(3)4)48(73)60-44(34(5)6)49(74)63-56(15,16)53(78)64-55(13,14)51(76)57-37(9)32-65(17)27-28-67/h33-38,40-44,67,69H,18-32H2,1-17H3,(H,57,76)(H,58,71)(H,59,72)(H,60,73)(H,61,77)(H,62,70)(H,63,74)(H,64,78)
InChIKeyWPWGMHSBJLSDKF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mycogone rosea (ncbitaxon:129585) - PubMed (10805580)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Roseoferin E3 (CHEBI:204543) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[6-hydroxy-1-[[1-[[1-[[1-[[1-[[1-[[1-[1-[2-hydroxyethyl(methyl)amino]propan-2-ylamino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-(2-methyloctanoyl)pyrrolidine-2-carboxamide
Manual XrefsDatabases
78444801ChemSpider