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CHEBI:204448 - Acremolide C

ChEBI IDCHEBI:204448
ChEBI NameAcremolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H44N2O6
Net Charge0
Average Mass468.635
Monoisotopic Mass468.31994
SMILESCC[C@@H](C)[C@H]1NC(=O)C(C)C(O)CC(C(C)CCCCC(C)O)OC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C25H44N2O6/c1-6-15(2)22-24(31)27-13-9-12-19(27)25(32)33-21(14-20(29)18(5)23(30)26-22)16(3)10-7-8-11-17(4)28/h15-22,28-29H,6-14H2,1-5H3,(H,26,30)/t15-,16?,17?,18?,19+,20?,21?,22-/m1/s1
InChIKeyQOCRZHBXYGQZJC-NWYVCKSVSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (18288804)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Acremolide C (CHEBI:204448) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,12S)-3-[(2R)-butan-2-yl]-7-hydroxy-9-(7-hydroxyoctan-2-yl)-6-methyl-10-oxa-1,4-diazabicyclo[10.3.0]pentadecane-2,5,11-trione
Manual XrefsDatabases
23314410ChemSpider