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CHEBI:199808 - Roseoferin E1

ChEBI IDCHEBI:199808
ChEBI NameRoseoferin E1
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)CNCCO)C(C)CC)C(C)C
InChIInChI=1S/C56H102N10O12/c1-17-20-21-22-24-36(8)50(75)66-27-23-25-42(66)47(72)60-41(30-34(6)29-40(69)31-39(68)19-3)46(71)59-38(10)45(70)63-54(11,12)52(77)62-43(33(4)5)48(73)61-44(35(7)18-2)49(74)64-56(15,16)53(78)65-55(13,14)51(76)58-37(9)32-57-26-28-67/h33-38,40-44,57,67,69H,17-32H2,1-16H3,(H,58,76)(H,59,71)(H,60,72)(H,61,73)(H,62,77)(H,63,70)(H,64,74)(H,65,78)
InChIKeyTVXKQEPNLLPXQY-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 E1 (CHEBI:199808) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[6-hydroxy-1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(2-hydroxyethylamino)propan-2-ylamino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-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
78444766ChemSpider