Structure database (LMSD)

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LM IDLMPR0103010003
Common NameNerolidyl diphosphate
Systematic NameNerolidyl pyrophosphate
Synonyms-
Exact Mass
382.1310 (neutral)    Calculate m/z:
FormulaC15H28O7P2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Acyclic farnesane sesquiterpenoids [PR010301]
PubChem CID5280900
KEGG IDC06111
CHEBI ID7525
InChIKeySDXCRASCLFBFND-SDNWHVSQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H28O7P2/c1-6-15(5,21-24(19,20)22-23(16,17)18)12-8-11-14(4)10-7-9-13(2)3/h6,9,11H,1,7-8,10,12H2,2-5H3,(H,19,20)(H2,16,17,18)/b14-11+
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SMILES
C(=C)C(OP(=O)(O)OP(O)(=O)O)(C)CC/C=C(\C)/CC/C=C(\C)/C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
361.33Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP5.43Molar
Refractivity
94.40