CHEBI:211721 - Milbemycin alpha20

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 Milbemycin alpha20
ChEBI ID CHEBI:211721
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H50O9
Net Charge 0
Average Mass 626.787
Monoisotopic Mass 626.34548
InChI InChI=1S/C36H50O9/c1-7-23(4)33(38)42-19-26-16-30-34(39)43-29-17-28(45-35(18-29)14-13-24(5)25(6)44-35)12-11-22(3)15-21(2)9-8-10-27-20-41-32(31(26)37)36(27,30)40/h7-11,16,21,24-25,28-32,37,40H,12-15,17-20H2,1-6H3/b9-8+,22-11+,23-7+,27-10-/t21-,24-,25+,28+,29-,30-,31+,32+,35-,36+/m0/s1
InChIKey PAUJDBQAEOHNRD-OHHHSWFJSA-N
SMILES O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](O)[C@H]5OC4)COC(=O)/C(=C/C)/C)O)C)C)O[C@@H]([C@@H](C)CC3)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 milbemycin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Milbemycin alpha20 (CHEBI:211721) is a milbemycin (CHEBI:50345)
IUPAC Name
[(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-5',6',11,13-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-22-yl]methyl (E)-2-methylbut-2-enoate
Manual Xref Database
8803117 ChemSpider
View more database links