EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227897 - Cyclodysidin A

ChEBI IDCHEBI:227897
ChEBI NameCyclodysidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H71N11O15
Net Charge0
Average Mass1006.125
Monoisotopic Mass1005.51311
SMILESCCCCCCCCCCC1CC(=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/C45H71N11O15/c1-3-4-5-6-7-8-9-10-11-26-19-37(64)50-32(22-57)43(69)51-28(16-17-34(46)61)39(65)53-30(20-35(47)62)41(67)52-29(18-25-12-14-27(60)15-13-25)40(66)54-31(21-36(48)63)42(68)55-33(23-58)44(70)56-38(24(2)59)45(71)49-26/h12-15,24,26,28-33,38,57-60H,3-11,16-23H2,1-2H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,49,71)(H,50,64)(H,51,69)(H,52,67)(H,53,65)(H,54,66)(H,55,68)(H,56,70)/t24-,26?,28+,29-,30+,31+,32+,33-,38+/m1/s1
InChIKeyNZRFWHCKHQJWHM-SXPBVUKDSA-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 A (CHEBI:227897) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(2S,5S,8S,11R,14S,17R,20S)-8,14-bis(2-amino-2-oxoethyl)-23-decyl-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
78438385ChemSpider