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CHEBI:202018 - Cyclodysidin D

ChEBI IDCHEBI:202018
ChEBI NameCyclodysidin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H79N11O15
Net Charge0
Average Mass1062.233
Monoisotopic Mass1061.57571
SMILESCCCCCCCCCCCCCC[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/C49H79N11O15/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-30-23-41(68)54-36(26-61)47(73)55-32(20-21-38(50)65)43(69)57-34(24-39(51)66)45(71)56-33(22-29-16-18-31(64)19-17-29)44(70)58-35(25-40(52)67)46(72)59-37(27-62)48(74)60-42(28(2)63)49(75)53-30/h16-19,28,30,32-37,42,61-64H,3-15,20-27H2,1-2H3,(H2,50,65)(H2,51,66)(H2,52,67)(H,53,75)(H,54,68)(H,55,73)(H,56,71)(H,57,69)(H,58,70)(H,59,72)(H,60,74)/t28-,30-,32+,33-,34+,35+,36+,37-,42+/m1/s1
InChIKeyFFKNAMPICCFUEX-VPAYTDAVSA-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 D (CHEBI:202018) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(2S,5S,8S,11R,14S,17R,20S,23R)-8,14-bis(2-amino-2-oxoethyl)-20-[(1R)-1-hydroxyethyl]-2,17-bis(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-3,6,9,12,15,18,21,25-octaoxo-23-tetradecyl-1,4,7,10,13,16,19,22-octazacyclopentacos-5-yl]propanamide
Manual XrefsDatabases
78436800ChemSpider