CHEBI:29531 - Avermectin A2b

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Avermectin A2b
ChEBI ID CHEBI:29531
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C48H74O15
Net Charge 0
Average Mass 891.094
Monoisotopic Mass 890.50277
InChI InChI=1S/C48H74O15/c1-24(2)41-28(6)35(49)22-47(63-41)21-33-18-32(62-47)16-15-26(4)42(60-39-20-37(54-10)44(30(8)58-39)61-38-19-36(53-9)40(50)29(7)57-38)25(3)13-12-14-31-23-56-45-43(55-11)27(5)17-34(46(51)59-33)48(31,45)52/h12-15,17,24-25,28-30,32-45,49-50,52H,16,18-23H2,1-11H3/b13-12+,26-15+,31-14+/t25-,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47-,48+/m0/s1
InChIKey QUTFLJHOCPQPEW-WUSILSRKSA-N
SMILES CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@]2(C5)C[C@H](O)[C@H](C)[C@H](O2)C(C)C)[C@]34O)O[C@@H](C)[C@@H]1O
ChEBI Ontology
Outgoing Avermectin A2b (CHEBI:29531) is a oligosaccharide (CHEBI:50699)
Synonym Source
Avermectin A2b KEGG COMPOUND
Manual Xref Database
C11960 KEGG COMPOUND
View more database links
Registry Number Type Source
65195-54-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014