Structure Database (LMSD)

Common Name
alpha-D-galactosyl undecaprenyl diphosphate
Systematic Name
1-O-{hydroxy[(hydroxy{[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-α-D-galactopyranose
Synonyms
  • alpha-D-Galactosyl-diphosphoundecaprenol
  • alpha-D-galactosyl-diphosphoundecaprenol
LM ID
LMPR03030010
Formula
C61H102O12P2
Exact Mass
Calculate m/z
1088.684656
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Polyprenols [PR03]
Bactoprenol diphosphates [PR0303]

String Representations

InChiKey (Click to copy)
WADQQVAMGZIDFQ-NOHJVBJWSA-N
InChi (Click to copy)
InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)(H,68,69)/b47-25+,48-27+,49-29+,50-31+,51-33+,52-35+,53-37+,54-39+,55-41+,56-43+/t57-,58+,59+,60-,61-/m1/s1
SMILES (Click to copy)
O(P(=O)(O)OP(=O)(O)O[C@@H]1[C@H](O)[C@H]([C@@H](O)[C@@H](CO)O1)O)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(\C)/CC/C=C(\C)/CC/C=C(/CC/C=C(/C)\C)\C

Other Databases

KEGG ID
C04507
CHEBI ID
16046
PubChem CID
5280693

Calculated Physicochemical Properties

Heavy Atoms 75
Rings 1
Aromatic Rings 0
Rotatable Bonds 38
Van der Waals Molecular Volume 1167.60
Topological Polar Surface Area 194.51
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
logP 18.61
Molar Refractivity 314.15

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Created at
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Updated at
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