Structure Database (LMSD)

Common Name
Phytyl diphosphate
Systematic Name
3,7R,11R,15-tetramethyl-2E-hexadecen-1-ol diphosphate
Synonyms
LM ID
LMPR0104010008
Formula
C20H42O7P2
Exact Mass
Calculate m/z
456.240581
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Acyclic diterpenoids [PR010401]

String Representations

InChiKey (Click to copy)
ITPLBNCCPZSWEU-PYDDKJGSSA-N
InChi (Click to copy)
InChI=1S/C20H42O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+/t18-,19-/m1/s1
SMILES (Click to copy)
C(/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OP(O)(OP(O)(O)=O)=O

Other Databases

KEGG ID
C05427
HMDB ID
HMDB11116
CHEBI ID
75837
PubChem CID
14556929

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 453.11
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 7.39
Molar Refractivity 117.46

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Created at
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Updated at
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