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CHEBI:227569 - Cyclodysidin C

ChEBI IDCHEBI:227569
ChEBI NameCyclodysidin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H75N11O15
Net Charge0
Average Mass1034.179
Monoisotopic Mass1033.54441
SMILESCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChIInChI=1S/C47H75N11O15/c1-3-4-5-6-7-8-9-10-11-12-13-28-21-39(66)52-34(24-59)45(71)53-30(18-19-36(48)63)41(67)55-32(22-37(49)64)43(69)54-31(20-27-14-16-29(62)17-15-27)42(68)56-33(23-38(50)65)44(70)57-35(25-60)46(72)58-40(26(2)61)47(73)51-28/h14-17,26,28,30-35,40,59-62H,3-13,18-25H2,1-2H3,(H2,48,63)(H2,49,64)(H2,50,65)(H,51,73)(H,52,66)(H,53,71)(H,54,69)(H,55,67)(H,56,68)(H,57,70)(H,58,72)/t26-,28-,30+,31-,32+,33+,34+,35-,40+/m1/s1
InChIKeyVYBJTYSDVMZYRI-IUFCIIPASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tetlet.2011.10.051)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyclodysidin C (CHEBI:227569) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(2S,5S,8S,11R,14S,17R,20S,23R)-8,14-bis(2-amino-2-oxoethyl)-23-dodecyl-20-[(1R)-1-hydroxyethyl]-2,17-bis(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-3,6,9,12,15,18,21,25-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-5-yl]propanamide
Manual XrefsDatabases
78438374ChemSpider