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CHEBI:206598 - Cervinin 59-acetate

ChEBI IDCHEBI:206598
ChEBI NameCervinin 59-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H104N12O14
Net Charge0
Average Mass1229.573
Monoisotopic Mass1228.77950
SMILESCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(COC(C)=O)CC(C)C)C(C)C
InChIInChI=1S/C61H104N12O14/c1-33(2)29-40(32-87-39(11)75)64-53(82)46(36(7)8)66-51(80)44-24-21-27-72(44)55(84)59(14,15)67-47(76)37(9)62-50(79)43-23-20-26-71(43)56(85)60(16,17)69-49(78)42(31-35(5)6)65-54(83)58(12,13)70-52(81)45-25-22-28-73(45)57(86)61(18,19)68-48(77)41(30-34(3)4)63-38(10)74/h33-37,40-46H,20-32H2,1-19H3,(H,62,79)(H,63,74)(H,64,82)(H,65,83)(H,66,80)(H,67,76)(H,68,77)(H,69,78)(H,70,81)
InChIKeyFNNLNLFVCDKLRI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hypomyces cervinigenus (ncbitaxon:100997) - PubMed (15043434)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cervinin 59-acetate (CHEBI:206598) is a polypeptide (CHEBI:15841)
IUPAC Name 
[2-[[2-[[1-[2-[2-[[1-[2-[[2-[[2-[[1-[2-[(2-acetamido-4-methylpentanoyl)amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentyl] acetate
Manual XrefsDatabases
8436279ChemSpider