Structure Database (LMSD)

Common Name
Lasalocid A
Systematic Name
Synonyms
LM ID
LMPK09000002
Formula
C34H54O8
Exact Mass
Calculate m/z
590.38187
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Polyether antibiotics [PK09]

String Representations

InChiKey (Click to copy)
BBMULGJBVDDDNI-OWKLGTHSSA-N
InChi (Click to copy)
InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1
SMILES (Click to copy)
C1(C(C(O)=O)=C(O)C(C)=CC=1)CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@@H]([C@]1([H])[C@@H](C)C[C@@](CC)([C@@]2([H])CC[C@](O)(CC)[C@H](C)O2)O1)CC

Other Databases

CHEBI ID
92181
PubChem CID
5360807
Cayman ID
15505
PDB ID
LSD

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 3
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 605.90
Topological Polar Surface Area 137.66
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 7.56
Molar Refractivity 164.80

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Updated at
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