Structure Database (LMSD)

Common Name
Erythromycin ethylsuccinate
Systematic Name
Synonyms
LM ID
LMPK05000001
Formula
C43H75NO16
Exact Mass
Calculate m/z
861.508589
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Ansamycins and related polyketides [PK05]

String Representations

InChiKey (Click to copy)
NSYZCCDSJNWWJL-YXOIYICCSA-N
InChi (Click to copy)
InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1
SMILES (Click to copy)
[C@@H]1(C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@H]([C@H](C)[C@@H](O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2OC(=O)CCC(=O)OCC)C)[C@](C)(O)C1)O[C@@H]1O[C@@H](C)[C@H](O)[C@](C)(OC)C1)C

Other Databases

Wikipedia
Erythromycin
KEGG ID
C12796
CHEBI ID
31555
PubChem CID
443953

Calculated Physicochemical Properties

Heavy Atoms 60
Rings 3
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 856.46
Topological Polar Surface Area 232.49
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 17
logP 6.97
Molar Refractivity 223.66

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Created at
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Updated at
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