Structure Database (LMSD)
Common Name
12,13 diHOME-(d4)
Systematic Name
12,13-dihydroxy-9Z-octadecenoic acid-(d4)
Synonyms
LM ID
LMFA02000234
Formula
Exact Mass
Calculate m/z
318.270818
Status
Active (Isotopically labelled standard)
3D model of 12,13 diHOME-(d4)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Synthetic deuterated standard
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Synthetic deuterated standard
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
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Created at
-
Updated at
29th Jan 2021