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CHEBI:208818 - N-[3-butan-2-yl-7,10-dimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-3-ormamido-2-hydroxybenzamide

ChEBI IDCHEBI:208818
ChEBI NameN-[3-butan-2-yl-7,10-dimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-3-ormamido-2-hydroxybenzamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36N2O10
Net Charge0
Average Mass548.589
Monoisotopic Mass548.23700
SMILESCCC(C)C1OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC(=O)C(C)C(=O)C(CC(C)C)OC1=O
InChIInChI=1S/C27H36N2O10/c1-7-14(4)23-27(36)38-19(11-13(2)3)21(31)15(5)25(34)37-16(6)20(26(35)39-23)29-24(33)17-9-8-10-18(22(17)32)28-12-30/h8-10,12-16,19-20,23,32H,7,11H2,1-6H3,(H,28,30)(H,29,33)
InChIKeyZQPBRVQLPNZKAB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (19662084)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-[3-butan-2-yl-7,10-dimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-3-ormamido-2-hydroxybenzamide (CHEBI:208818) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[3-butan-2-yl-7,10-dimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-3-ormamido-2-hydroxybenzamide
Manual XrefsDatabases
28286915ChemSpider