Structure Database (LMSD)

Common Name
9(Z)-13-HOME
Systematic Name
13-Hydroxy-cis-9-octadecenoic acid
Synonyms
LM ID
LMFA02000421
Formula
Exact Mass
Calculate m/z
298.250795
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Oxylipin Standard

String Representations

InChiKey (Click to copy)
QVAVREIGSFJSOU-CLFYSBASSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,17,19H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCC(O)CCCCC)(=O)O

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 341.05
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.37
Molar Refractivity 88.99

Admin

Created at
26th Nov 2024
Updated at
26th Nov 2024