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CHEBI:16089 - 6-deoxyerythronolide B

ChEBI IDCHEBI:16089
ChEBI Name6-deoxyerythronolide B
Stars
Secondary ChEBI IDsCHEBI:2182, CHEBI:12213, CHEBI:20715, CHEBI:41952
Last Modified23 January 2014
DownloadsMolfile
FormulaC21H38O6
Net Charge0
Average Mass386.529
Monoisotopic Mass386.26684
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
InChIKeyHQZOLNNEQAKEHT-IBBGRPSASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
6-deoxyerythronolide B (CHEBI:16089) is a erythronolide (CHEBI:23955)
IUPAC Name 
(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
Synonyms  Source
6-Deoxyerythronolide BKEGG COMPOUND
3,5,11-Trihydroxyerythranolid-9-oneChemIDplus
6,12-Dideoxy-erythronolide AChemIDplus
6-DEOXYERYTHRONOLIDE BPDBeChem
UniProt Name  Source
6-deoxyerythronolide BUniProt
Manual XrefsDatabases
C03240KEGG COMPOUND
DEBPDBeChem
LMPK04000002LIPID MAPS
DB04070DrugBank
Registry NumbersSources
CAS:15797-36-1ChemIDplus