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CHEBI:199815 - Roseoferin D3

ChEBI IDCHEBI:199815
ChEBI NameRoseoferin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H104N10O12
Net Charge0
Average Mass1121.517
Monoisotopic Mass1120.78352
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)CN(C)CCO)C(C)CC)C(C)C
InChIInChI=1S/C57H104N10O12/c1-18-21-22-23-25-37(8)51(76)67-27-24-26-43(67)48(73)60-42(31-35(6)30-41(70)32-40(69)20-3)47(72)59-39(10)46(71)63-55(11,12)53(78)62-44(34(4)5)49(74)61-45(36(7)19-2)50(75)64-57(15,16)54(79)65-56(13,14)52(77)58-38(9)33-66(17)28-29-68/h34-39,41-45,68,70H,18-33H2,1-17H3,(H,58,77)(H,59,72)(H,60,73)(H,61,74)(H,62,78)(H,63,71)(H,64,75)(H,65,79)
InChIKeyGNSCNHAITDDGKB-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 D3 (CHEBI:199815) 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-methyloctanoyl)pyrrolidine-2-carboxamide
Manual XrefsDatabases
78444767ChemSpider