CHEBI:138813 - 5-Oxoavermectin "2a" aglycone

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ChEBI Name 5-Oxoavermectin "2a" aglycone
ChEBI ID CHEBI:138813
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C33H46O9
Net Charge 0
Average Mass 586.714
Monoisotopic Mass 586.31418
InChI InChI=1S/C33H46O9/c1-17(2)29-21(6)26(34)15-32(42-29)14-24-13-23(41-32)11-10-19(4)27(35)18(3)8-7-9-22-16-39-30-28(36)20(5)12-25(31(37)40-24)33(22,30)38/h7-10,12,17-18,21,23-27,29-30,34-35,38H,11,13-16H2,1-6H3/b8-7+,19-10+,22-9+/t18-,21-,23+,24-,25-,26-,27-,29+,30+,32-,33+/m0/s1
InChIKey XPKKFLVMJSAYAI-MEQIXVRQSA-N
SMILES [C@]12(C[C@H](O)[C@H](C)[C@@H](C(C)C)O1)C[C@@H]3C[C@H](O2)CC=C([C@H]([C@H](C=CC=C4[C@]5([C@H](C(=O)O3)C=C(C([C@]5(OC4)[H])=O)C)O)C)O)C
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via milbemycin )
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ChEBI Ontology
Outgoing 5-Oxoavermectin "2a" aglycone (CHEBI:138813) is a milbemycin (CHEBI:50345)
Manual Xref Database
C11954 KEGG COMPOUND
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Last Modified
25 October 2017