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CHEBI:220832 - Cyclodysidin B

ChEBI IDCHEBI:220832
ChEBI NameCyclodysidin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H73N11O15
Net Charge0
Average Mass1020.152
Monoisotopic Mass1019.52876
SMILESCCCCCCCCCCCC1CC(=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/C46H73N11O15/c1-3-4-5-6-7-8-9-10-11-12-27-20-38(65)51-33(23-58)44(70)52-29(17-18-35(47)62)40(66)54-31(21-36(48)63)42(68)53-30(19-26-13-15-28(61)16-14-26)41(67)55-32(22-37(49)64)43(69)56-34(24-59)45(71)57-39(25(2)60)46(72)50-27/h13-16,25,27,29-34,39,58-61H,3-12,17-24H2,1-2H3,(H2,47,62)(H2,48,63)(H2,49,64)(H,50,72)(H,51,65)(H,52,70)(H,53,68)(H,54,66)(H,55,67)(H,56,69)(H,57,71)/t25-,27?,29+,30-,31+,32+,33+,34-,39+/m1/s1
InChIKeyRESXMHHSXHOIQC-JVINALFVSA-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 B (CHEBI:220832) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(2S,5S,8S,11R,14S,17R,20S)-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-undecyl-1,4,7,10,13,16,19,22-octazacyclopentacos-5-yl]propanamide
Manual XrefsDatabases
78438215ChemSpider