Structure Database (LMSD)

OH O OH
Common Name
9S-hydroxy-7E-hexadecenoic acid
Systematic Name
9S-hydroxy-7E-hexadecenoic acid
Synonyms
LM ID
LMFA01050561
Formula
C16H30O3
Exact Mass
Calculate m/z
270.219495
Sum Composition
FA 16:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
ACEMCBZWGKLMMU-VOMSXAGXSA-N
InChi (Click to copy)
InChI=1S/C16H30O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h10,13,15,17H,2-9,11-12,14H2,1H3,(H,18,19)/b13-10+/t15-/m0/s1
SMILES (Click to copy)
C(CCCCC/C=C/[C@@H](O)CCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Skeletonema marinoi (#267567)
Coscinodiscophyceae (#33836)
LOX-induced lipid peroxidation mechanism responsible for the detrimental effect of marine diatoms on zooplankton grazers.,
Chembiochem, 2007
Pubmed ID: 17886321

Other Databases

PubChem CID
162922122

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 306.45
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.59
Molar Refractivity 79.76

Admin

Created at
19th May 2020
Updated at
29th Mar 2024