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CHEBI:181256 - 13-Hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone

ChEBI IDCHEBI:181256
ChEBI Name13-Hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H51N3O8
Net Charge0
Average Mass557.729
Monoisotopic Mass557.36762
SMILESCCCCCCCCCC1OC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(C)C(O)C1C
InChIInChI=1S/C28H51N3O8/c1-7-8-9-10-11-12-13-14-21-17(4)24(34)18(5)25(35)30-22(16(2)3)26(36)31-23(19(6)33)27(37)29-20(15-32)28(38)39-21/h16-24,32-34H,7-15H2,1-6H3,(H,29,37)(H,30,35)(H,31,36)
InChIKeyCBEIHVWVTGRGDR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
13-Hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone (CHEBI:181256) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone
Manual XrefsDatabases
29814710ChemSpider