CHEBI:217286 - Saprolmycin A

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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 Saprolmycin A
ChEBI ID CHEBI:217286
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H38O14
Net Charge 0
Average Mass 706.697
Monoisotopic Mass 706.22616
InChI InChI=1S/C37H38O14/c1-16-22(38)7-9-27(48-16)50-34-18(3)47-25(13-24(34)40)19-5-6-20-29(31(19)42)32(43)21-11-12-36(45)15-35(4,51-28-10-8-23(39)17(2)49-28)14-26(41)37(36,46)30(21)33(20)44/h5-12,16-18,24-25,27-28,34,40,42,45-46H,13-15H2,1-4H3/t16?,17?,18-,24-,25-,27?,28?,34-,35-,36-,37-/m0/s1
InChIKey AVSWGYVEQIWPCT-BWLLDPINSA-N
SMILES O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](OC5OC(C(=O)C=C5)C)(C)C4)O)[C@H]6O[C@H]([C@H](OC7OC(C(=O)C=C7)C)[C@H](C6)O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via angucycline )
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ChEBI Ontology
Outgoing Saprolmycin A (CHEBI:217286) is a angucycline (CHEBI:48130)
IUPAC Name
(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[(2S,4S,5R,6S)-4-hydroxy-6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual Xref Database
78445281 ChemSpider
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