Structure Database (LMSD)

Common Name
(Z)-3-(henicos-14-en-1-yl)phenol
Systematic Name
(Z)-3-(henicos-14-en-1-yl)phenol
Synonyms
LM ID
LMPK15010008
Formula
C27H46O
Exact Mass
Calculate m/z
386.354865
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl phenols and derivatives [PK1501]

String Representations

InChiKey (Click to copy)
KTZQVFBRDCNKPR-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C27H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-23-21-24-27(28)25-26/h7-8,21,23-25,28H,2-6,9-20,22H2,1H3/b8-7-
SMILES (Click to copy)
C1C=C(CCCCCCCCCCCCC/C=C\CCCCCC)C=C(O)C=1

Other Databases

CHEBI ID
173211
PubChem CID
126457707

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 1
Rotatable Bonds 19
Van der Waals Molecular Volume 450.63
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 9.14
Molar Refractivity 125.11

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Updated at
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