Structure database (LMSD)

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LM IDLMPR03030005
Common Nameall-trans-hexaprenyl diphosphate
Systematic Name3,7,11,15,19,23-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
Exact Mass
586.3188 (neutral)    Calculate m/z:
FormulaC30H52O7P2
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol diphosphates [PR0303]
PubChem CID5280413
KEGG IDC01230
HMDB IDHMDB0012188
CHEBI ID17528
InChIKeyNGFSMHKFTZROKJ-MMSZMYIBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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+
SMILESC(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
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms39Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
612.91Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP10.61Molar
Refractivity
163.37