Structure Database (LMSD)

Common Name
Erythromycin
Systematic Name
Synonyms
LM ID
LMPK04000006
Formula
C37H67NO13
Exact Mass
Calculate m/z
733.461244
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View ion mobility data

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

String Representations

InChiKey (Click to copy)
ULGZDMOVFRHVEP-RWJQBGPGSA-N
InChi (Click to copy)
InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/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)O)CC)O[C@@H]1O[C@H]([C@H](O)[C@](C)(OC)C1)C

Other Databases

Wikipedia
Erythromycin
KEGG ID
C01912
HMDB ID
HMDB0014344
CHEBI ID
42355
PubChem CID
12560
Cayman ID
16486
PDB ID
ERY
GuidePharm ID
1456

Calculated Physicochemical Properties

Heavy Atoms 51
Rings 3
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 731.57
Topological Polar Surface Area 200.12
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 14
logP 5.80
Molar Refractivity 193.43

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Created at
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Updated at
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