Structure database (LMSD)

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LM IDLMPR03030006
Common Nameall-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
Synonymsall-trans-Heptaprenyl diphosphate; all-trans-heptaprenyl diphosphate
Exact Mass
654.3814 (neutral)    Calculate m/z:
FormulaC35H60O7P2
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol diphosphates [PR0303]
PubChem CID5280658
KEGG IDC04216
HMDB IDHMDB0012187
CHEBI ID17613
InChIKeyLSJLEXWXRKTZAJ-YUIIPXGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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+
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SMILES
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
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms44Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
696.77Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP12.33Molar
Refractivity
186.36