CHEBI:27977 - erythronolide B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name erythronolide B
ChEBI ID CHEBI:27977
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4847, CHEBI:23954
Supplier Information
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Formula C21H38O7
Net Charge 0
Average Mass 402.52222
Monoisotopic Mass 402.262
InChI InChI=1S/C21H38O7/c1-8-15-11(3)17(23)12(4)16(22)10(2)9-21(7,27)19(25)13(5)18(24)14(6)20(26)28-15/h10-15,17-19,23-25,27H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,17+,18+,19-,21-/m1/s1
InChIKey ZFBRGCCVTUPRFQ-HWRKYNCUSA-N
SMILES CC[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@H]1C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via erythronolide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing erythronolide B (CHEBI:27977) is a erythronolide (CHEBI:23955)
Incoming 3-O-(α-L-oleandrosyl)erythronolide B (CHEBI:63289) has functional parent erythronolide B (CHEBI:27977)
3-O-(α-L-olivosyl)erythronolide B (CHEBI:63288) has functional parent erythronolide B (CHEBI:27977)
erythromycin B (CHEBI:28196) has functional parent erythronolide B (CHEBI:27977)
erythromycin D (CHEBI:28331) has functional parent erythronolide B (CHEBI:27977)
IUPAC Name
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-4,6,7,12-tetrahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
Synonyms Sources
12-deoxyerythronolide A ChemIDplus
Erythronolid B ChEBI
Erythronolide B KEGG COMPOUND
erythronolide B UniProt
Database Link Database
C06635 KEGG COMPOUND
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Registry Numbers Types Sources
1354077 Beilstein Registry Number Beilstein
3225-82-9 CAS Registry Number ChemIDplus
Last Modified
23 January 2014