Structure Database (LMSD)

Common Name
Phytyl phosphate
Systematic Name
3,7R,11R,15-tetramethyl-2E-hexadecen-1-ol phosphate
Synonyms
LM ID
LMPR0104010007
Formula
C20H41O4P
Exact Mass
Calculate m/z
376.274248
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)
YRXRHZOKDFCXIB-PYDDKJGSSA-N
InChi (Click to copy)
InChI=1S/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(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)(O)=O

Other Databases

CHEBI ID
75838
PubChem CID
25245114
SwissLipids ID
SLM:000389242

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 406.91
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 7.11
Molar Refractivity 106.69

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Created at
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Updated at
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