Structure Database (LMSD)

Common Name
12,13 diHOME-(d4)
Systematic Name
12,13-dihydroxy-9Z-octadecenoic acid-(d4)
Synonyms
LM ID
LMFA02000234
Status
Active (Isotopically labelled standard)
Exact Mass
Calculate m/z
318.27041
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
CQSLTKIXAJTQGA-LZHWIENRSA-N
InChi (Click to copy)
InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-/i8D,11D,16D,17D
SMILES (Click to copy)
C(CCCCCCC/C(/[2H])=C(/[2H])\CC([2H])(O)C([2H])(O)CCCCC)(=O)O

References

Comments
Synthetic deuterated standard

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

Other Databases

KEGG ID
HMDB ID
PubChem CID

Admin

Created at
-
Updated at
29th Jan 2021