Structure Database (LMSD)

Common Name
Dodecaprenyl phosphate-galacturonic acid
Systematic Name
Synonyms
LM ID
LMPR03020004
Formula
C66H107O10P
Exact Mass
Calculate m/z
1090.760188
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Polyprenols [PR03]
Bactoprenol monophosphates [PR0302]

String Representations

InChiKey (Click to copy)
KNRKMSRCMYRVRK-MXOBNJFFSA-N
InChi (Click to copy)
InChI=1S/C66H107O10P/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-74-77(72,73)76-66-63(69)61(67)62(68)64(75-66)65(70)71/h25,27,29,31,33,35,37,39,41,43,45,47,61-64,66-69H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3,(H,70,71)(H,72,73)/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,62+,63+,64-,66-/m0/s1
SMILES (Click to copy)
C(C/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/CC/C=C(\C)/CC/C=C(\C)/C)\C)/C(/C)=C\CC/C(/C)=C\COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C(=O)O)O1

Other Databases

CHEBI ID
142386
PubChem CID
24779569

Calculated Physicochemical Properties

Heavy Atoms 77
Rings 1
Aromatic Rings 0
Rotatable Bonds 39
Van der Waals Molecular Volume 1211.41
Topological Polar Surface Area 165.05
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 19.86
Molar Refractivity 326.42

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Created at
-
Updated at
13th Sep 2021