Structure Database (LMSD)

Common Name
Phytophthora mating hormone alpha1
Systematic Name
(3R,7R,11R,15R)-1,11,16-trihydroxy-3,7,11,15-tetramethylhexadecan-4-one
Synonyms
LM ID
LMPR0104010014
Formula
C20H40O4
Exact Mass
Calculate m/z
344.29266
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)
KVWYIWRSDKQRFM-SOAMZJECSA-N
InChi (Click to copy)
InChI=1S/C20H40O4/c1-16(9-10-19(23)18(3)11-14-21)7-5-12-20(4,24)13-6-8-17(2)15-22/h16-18,21-22,24H,5-15H2,1-4H3/t16-,17-,18-,20-/m1/s1
SMILES (Click to copy)
C([C@](CCC[C@@H](C)CO)(O)C)CC[C@@H](C)CCC([C@@H](CCO)C)=O

Other Databases

CHEBI ID
48925
PubChem CID
23727909

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 387.08
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.57
Molar Refractivity 100.34

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Created at
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Updated at
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