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CHEBI:48848 - erythronolide A

ChEBI IDCHEBI:48848
ChEBI Nameerythronolide A
Stars
Last Modified22 March 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC21H38O8
Net Charge0
Average Mass418.527
Monoisotopic Mass418.25667
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C21H38O8/c1-8-14-21(7,28)18(25)11(3)15(22)10(2)9-20(6,27)17(24)12(4)16(23)13(5)19(26)29-14/h10-14,16-18,23-25,27-28H,8-9H2,1-7H3/t10-,11+,12+,13-,14-,16+,17-,18-,20-,21-/m1/s1
InChIKeyYVTFLQUPRIIRFE-QUMKBVJLSA-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)
erythronolide A (CHEBI:48848) is a erythronolide (CHEBI:23955)
Incoming Relation(s)
erythromycin A (CHEBI:42355) has functional parent erythronolide A (CHEBI:48848)
erythromycin C (CHEBI:64273) has functional parent erythronolide A (CHEBI:48848)
IUPAC Name 
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
Synonym  Source
Erythronolid AChEBI
Registry NumbersSources
Beilstein:4570921Beilstein
CAS:26754-37-0ChemIDplus