LIPID MAPS

Structure Database (LMSD)

Common Name

Avermectin B2a

Systematic Name

Synonyms

LM ID

LMPK04000022

Status

Active

Exact Mass

Calculate m/z

890.502775

Formula

C₄₈H₇₄O₁₅

Show lipids differing only in stereochemistry/bond geometry

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MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

CWGATOJEFAKFBK-QJDTYEMPSA-N

InChi (Click to copy)

InChI=1S/C48H74O15/c1-11-24(2)43-28(6)35(49)22-47(63-43)21-33-18-32(62-47)16-15-26(4)42(25(3)13-12-14-31-23-56-45-40(50)27(5)17-34(46(52)59-33)48(31,45)53)60-39-20-37(55-10)44(30(8)58-39)61-38-19-36(54-9)41(51)29(7)57-38/h12-15,17,24-25,28-30,32-45,49-51,53H,11,16,18-23H2,1-10H3/b13-12+,26-15+,31-14+/t24?,25-,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47-,48+/m0/s1

SMILES (Click to copy)

[C@@H]1([C@H](O)[C@@H](OC)C[C@@H](O1)O[C@@H]1[C@@H](OC)C[C@H](O[C@H]2[C@H](C=CC=C3CO[C@]4([H])[C@H](O)C(C)=C[C@H]([C@]34O)C(O[C@H]3C[C@H](O[C@]4(O[C@H](C(CC)C)[C@@H](C)[C@@H](O)C4)C3)CC=C2C)=O)C)O[C@H]1C)C