LIPID MAPS

Structure Database (LMSD)

Common Name

Clarithromycin

Systematic Name

Synonyms

LM ID

LMPK04000014

Status

Active

Exact Mass

Calculate m/z

747.476894

Formula

C₃₈H₆₉NO₁₃

Show lipids differing only in stereochemistry/bond geometry

View MoNA MS spectra

View ion mobility data

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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)

AGOYDEPGAOXOCK-KCBOHYOISA-N

InChi (Click to copy)

InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1

SMILES (Click to copy)

[C@@H]1(O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C)[C@@H](C)[C@@H]([C@@H](C)C(=O)O[C@@H]([C@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]1(C)OC)CC)O[C@@H]1O[C@H]([C@H](O)[C@](C)(OC)C1)C