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CHEBI:223087 - Roseoferin A2

ChEBI IDCHEBI:223087
ChEBI NameRoseoferin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H108N10O12
Net Charge0
Average Mass1149.571
Monoisotopic Mass1148.81482
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)CC)C(C)C
InChIInChI=1S/C59H108N10O12/c1-18-21-22-23-24-25-27-39(8)53(78)69-29-26-28-45(69)50(75)62-44(33-37(6)32-43(72)34-42(71)20-3)49(74)61-41(10)48(73)65-57(11,12)55(80)64-46(36(4)5)51(76)63-47(38(7)19-2)52(77)66-59(15,16)56(81)67-58(13,14)54(79)60-40(9)35-68(17)30-31-70/h36-41,43-47,70,72H,18-35H2,1-17H3,(H,60,79)(H,61,74)(H,62,75)(H,63,76)(H,64,80)(H,65,73)(H,66,77)(H,67,81)
InChIKeyGRTPEAVYWFFBJU-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 A2 (CHEBI:223087) 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-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-methyldecanoyl)pyrrolidine-2-carboxamide
Manual XrefsDatabases
78444874ChemSpider