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

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ChEBI 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
ChEBI ID CHEBI:182137
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H51N3O7
Net Charge 0
Average Mass 541.730
Monoisotopic Mass 541.37270
InChI InChI=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)
InChIKey PVAWVKQDYYTSIE-UHFFFAOYSA-N
SMILES O1C(C(CCCCCCCCCC)C)C(C(=O)NC(C(C)C)C(=O)NC(C(=O)NC(C1=O)CO)C(O)C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
29814712 ChemSpider
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