Structure Database (LMSD)

Common Name
all-trans-nonaprenyl diphosphate
Systematic Name
(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl trihydrogen diphosphate
Synonyms
  • Diphosphoric acid, mono(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl) ester, (all-E)-
  • Solanesyl diphosphate
  • Solanesyl pyrophosphate
  • all-trans-Nonaprenyl diphosphate
LM ID
LMPR03030007
Formula
C45H76O7P2
Exact Mass
Calculate m/z
790.506631
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)
IVLBHBFTRNVIAP-MEGGAXOGSA-N
InChi (Click to copy)
InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+
SMILES (Click to copy)
O=P(OP(OC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(\C)/CC/C=C(/CC/C=C(/CC/C=C(/C)\C)\C)\C)\C)\C)\C)\C)\C)(O)=O)(O)O

Other Databases

KEGG ID
C04145
CHEBI ID
18144
PubChem CID
5280650

Calculated Physicochemical Properties

Heavy Atoms 54
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 864.49
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 15.79
Molar Refractivity 232.34

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Created at
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Updated at
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