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CHEBI:202816 - Roseoferin A3

ChEBI IDCHEBI:202816
ChEBI NameRoseoferin A3
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)CNCCO)C(C)CC)C(C)CC
InChIInChI=1S/C59H108N10O12/c1-17-21-22-23-24-25-27-39(8)53(78)69-30-26-28-45(69)50(75)63-44(33-36(5)32-43(72)34-42(71)20-4)49(74)62-41(10)48(73)66-57(11,12)55(80)65-46(37(6)18-2)51(76)64-47(38(7)19-3)52(77)67-59(15,16)56(81)68-58(13,14)54(79)61-40(9)35-60-29-31-70/h36-41,43-47,60,70,72H,17-35H2,1-16H3,(H,61,79)(H,62,74)(H,63,75)(H,64,76)(H,65,80)(H,66,73)(H,67,77)(H,68,81)
InChIKeyNZZGMDXAMVHVKY-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 A3 (CHEBI:202816) 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-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
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