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CHEBI:182137 - 13-Dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

ChEBI IDCHEBI:182137
ChEBI Name13-Dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H51N3O7
Net Charge0
Average Mass541.730
Monoisotopic Mass541.37270
SMILESCCCCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C1C
InChIInChI=1S/C28H51N3O7/c1-7-8-9-10-11-12-13-14-15-18(4)24-19(5)25(34)30-22(17(2)3)26(35)31-23(20(6)33)27(36)29-21(16-32)28(37)38-24/h17-24,32-33H,7-16H2,1-6H3,(H,29,36)(H,30,34)(H,31,35)
InChIKeyPVAWVKQDYYTSIE-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-Dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone (CHEBI:182137) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
13-dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
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