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CHEBI:220672 - Roseoferin B2

ChEBI IDCHEBI:220672
ChEBI NameRoseoferin B2
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)CNCCO)C(C)C)C(C)CC
InChIInChI=1S/C58H106N10O12/c1-17-20-21-22-23-24-26-38(8)52(77)68-29-25-27-44(68)49(74)62-43(32-36(6)31-42(71)33-41(70)19-3)48(73)61-40(10)47(72)65-56(11,12)54(79)64-46(37(7)18-2)50(75)63-45(35(4)5)51(76)66-58(15,16)55(80)67-57(13,14)53(78)60-39(9)34-59-28-30-69/h35-40,42-46,59,69,71H,17-34H2,1-16H3,(H,60,78)(H,61,73)(H,62,74)(H,63,75)(H,64,79)(H,65,72)(H,66,76)(H,67,80)
InChIKeyMBPYYBXSIMRVJP-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 B2 (CHEBI:220672) 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-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-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
78444825ChemSpider