Structure Database (LMSD)

Common Name
all-trans-heptaprenyl diphosphate
Systematic Name
(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl trihydrogen diphosphate
Synonyms
  • all-trans-Heptaprenyl diphosphate
  • all-trans-heptaprenyl diphosphate
LM ID
LMPR03030006
Formula
C35H60O7P2
Exact Mass
Calculate m/z
654.381431
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)
LSJLEXWXRKTZAJ-YUIIPXGZSA-N
InChi (Click to copy)
InChI=1S/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,39,40)(H2,36,37,38)/b30-17+,31-19+,32-21+,33-23+,34-25+,35-27+
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)/CC/C=C(\C)/C

Other Databases

KEGG ID
C04216
HMDB ID
HMDB0012187
CHEBI ID
17613
PubChem CID
5280658

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 696.77
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 12.33
Molar Refractivity 186.36

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Created at
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Updated at
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