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CHEBI:216121 - Roseoferin B1

ChEBI IDCHEBI:216121
ChEBI NameRoseoferin B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H106N10O12
Net Charge0
Average Mass1135.544
Monoisotopic Mass1134.79917
SMILESCCCCCCCCC(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/C58H106N10O12/c1-18-20-21-22-23-24-26-38(8)52(77)68-28-25-27-44(68)49(74)61-43(32-37(7)31-42(71)33-41(70)19-2)48(73)60-40(10)47(72)64-56(11,12)54(79)63-45(35(3)4)50(75)62-46(36(5)6)51(76)65-58(15,16)55(80)66-57(13,14)53(78)59-39(9)34-67(17)29-30-69/h35-40,42-46,69,71H,18-34H2,1-17H3,(H,59,78)(H,60,73)(H,61,74)(H,62,75)(H,63,79)(H,64,72)(H,65,76)(H,66,80)
InChIKeyWIILTUSUDIJLMW-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 B1 (CHEBI:216121) 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-methyldecanoyl)pyrrolidine-2-carboxamide
Manual XrefsDatabases
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