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CHEBI:212013 - Roseoferin D1

ChEBI IDCHEBI:212013
ChEBI NameRoseoferin D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H104N10O12
Net Charge0
Average Mass1121.517
Monoisotopic Mass1120.78352
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)C
InChIInChI=1S/C57H104N10O12/c1-17-19-20-21-22-23-25-37(8)51(76)67-28-24-26-43(67)48(73)61-42(31-36(7)30-41(70)32-40(69)18-2)47(72)60-39(10)46(71)64-55(11,12)53(78)63-44(34(3)4)49(74)62-45(35(5)6)50(75)65-57(15,16)54(79)66-56(13,14)52(77)59-38(9)33-58-27-29-68/h34-39,41-45,58,68,70H,17-33H2,1-16H3,(H,59,77)(H,60,72)(H,61,73)(H,62,74)(H,63,78)(H,64,71)(H,65,75)(H,66,79)
InChIKeyPTQWTVKFSXWMDI-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 D1 (CHEBI:212013) 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-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
78444852ChemSpider