Structure Database (LMSD)

Common Name
all-trans-hexaprenyl diphosphate
Systematic Name
3,7,11,15,19,23-hexamethyltetracosa-2E,6E,10E,14E,18E,22-hexaen-1-yl trihydrogen diphosphate
Synonyms
  • (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl trihydrogen diphosphate
  • all-trans-Hexaprenyl diphosphate
  • all-trans-hexaprenyl diphosphate
LM ID
LMPR03030005
Formula
C30H52O7P2
Exact Mass
Calculate m/z
586.318831
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)
NGFSMHKFTZROKJ-MMSZMYIBSA-N
InChi (Click to copy)
InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)/b26-15+,27-17+,28-19+,29-21+,30-23+
SMILES (Click to copy)
C(OP(=O)(O)OP(=O)(O)O)/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

KEGG ID
C01230
HMDB ID
HMDB0012188
CHEBI ID
17528
PubChem CID
5280413

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 612.91
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 10.61
Molar Refractivity 163.37

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Created at
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Updated at
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