EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217508 - Chrondramide 13E

ChEBI IDCHEBI:217508
ChEBI NameChrondramide 13E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H45BrN4O6
Net Charge0
Average Mass709.682
Monoisotopic Mass708.25225
SMILESCC[C@H]1OC(=O)CC(c2ccc(O)c(Br)c2)NC(=O)[C@@H](Cc2cnc3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C/C(C)=C\[C@@H]1C
InChIInChI=1S/C36H45BrN4O6/c1-7-32-21(3)14-20(2)15-22(4)34(44)39-23(5)36(46)41(6)30(17-25-19-38-28-11-9-8-10-26(25)28)35(45)40-29(18-33(43)47-32)24-12-13-31(42)27(37)16-24/h8-14,16,19,21-23,29-30,32,38,42H,7,15,17-18H2,1-6H3,(H,39,44)(H,40,45)/b20-14-/t21-,22-,23-,29?,30+,32+/m0/s1
InChIKeyDFOJMCFNHSDGNF-DCNVGBKBSA-N
Species of MetaboliteComponentSourceComments
Chondromyces (ncbitaxon:50) - PubMed (23959765)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Chrondramide 13E (CHEBI:217508) is a peptide (CHEBI:16670)
IUPAC Name 
(7R,10S,13S,15Z,17S,18R)-4-(3-bromo-4-hydroxyphenyl)-18-ethyl-7-(1H-indol-3-ylmethyl)-8,10,13,15,17-pentamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
Manual XrefsDatabases
78442789ChemSpider