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

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ChEBI 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
ChEBI ID CHEBI:181256
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H51N3O8
Net Charge 0
Average Mass 557.729
Monoisotopic Mass 557.36762
InChI InChI=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)
InChIKey CBEIHVWVTGRGDR-UHFFFAOYSA-N
SMILES O1C(C(C(O)C(C(=O)NC(C(C)C)C(=O)NC(C(=O)NC(C1=O)CO)C(O)C)C)C)CCCCCCCCC
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-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 Xref Database
29814710 ChemSpider
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