CHEBI:213141 - Milbemycin alpha22

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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 Milbemycin alpha22
ChEBI ID CHEBI:213141
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H48O9
Net Charge 0
Average Mass 600.749
Monoisotopic Mass 600.32983
InChI InChI=1S/C34H48O9/c1-6-29(35)39-18-24-15-28-32(37)41-27-16-26(43-33(17-27)13-12-22(4)23(5)42-33)11-10-21(3)14-20(2)8-7-9-25-19-40-31(30(24)36)34(25,28)38/h7-10,15,20,22-23,26-28,30-31,36,38H,6,11-14,16-19H2,1-5H3/b8-7+,21-10+,25-9-/t20-,22-,23+,26+,27-,28-,30+,31+,33-,34+/m0/s1
InChIKey XLQIVSCKAHVDRB-QATXLRTASA-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)CC)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 alpha22 (CHEBI:213141) 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 propanoate
Manual Xref Database
8683202 ChemSpider
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