CHEBI:204484 - 7-O-(alpha-glucosyl)-cineromycin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-O-(alpha-glucosyl)-cineromycin B
ChEBI ID CHEBI:204484
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H36O9
Net Charge 0
Average Mass 456.532
Monoisotopic Mass 456.23593
InChI InChI=1S/C23H36O9/c1-13-6-5-7-14(2)16(8-10-23(4,29)11-9-18(25)30-15(13)3)31-22-21(28)20(27)19(26)17(12-24)32-22/h7-11,13,15-17,19-22,24,26-29H,5-6,12H2,1-4H3/b10-8+,11-9+,14-7+/t13-,15+,16-,17+,19+,20-,21+,22-,23+/m0/s1
InChIKey HFUKSHWNUBWWHB-UGERLSFTSA-N
SMILES O=C1O[C@@H]([C@H](CCC=C(C)[C@H](C=C[C@](C=C1)(O)C)O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 7-O-(alpha-glucosyl)-cineromycin B (CHEBI:204484) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetradeca-3,6,9-trien-2-one
Manual Xref Database
8846846 ChemSpider
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