Structure Database (LMSD)

Common Name
3-O-alpha-L-rhamnopyranosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid
Systematic Name
3-O-α-L-rhamnopyranosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid
Synonyms
  • 3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid
LM ID
LMFA13030001
Formula
C26H48O9
Exact Mass
Calculate m/z
504.329835
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Rhamnolipids [FA1303]

String Representations

InChiKey (Click to copy)
PPMPLIBYTIWXPG-MSJADDGSSA-N
InChi (Click to copy)
InChI=1S/C26H48O9/c1-4-6-8-10-12-14-19(16-21(27)28)34-22(29)17-20(15-13-11-9-7-5-2)35-26-25(32)24(31)23(30)18(3)33-26/h18-20,23-26,30-32H,4-17H2,1-3H3,(H,27,28)/t18-,19?,20?,23-,24+,25+,26-/m0/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C(CCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)O

Other Databases

CHEBI ID
62255
PubChem CID
162246

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 1
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 519.83
Topological Polar Surface Area 144.82
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 5.70
Molar Refractivity 134.31

Admin

Created at
-
Updated at
24th Aug 2021