Structure Database (LMSD)
Common Name
12S-HHTrE
Systematic Name
12S-hydroxy-5Z,8E,10E-heptadecatrienoic acid
Synonyms
- 12-HHTrE
- 12-HHT
3D model of 12S-HHTrE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KUKJHGXXZWHSBG-WBGSEQOASA-N
InChi (Click to copy)
InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1
SMILES (Click to copy)
C(=C/C/C=C/C=C/[C@@H](O)CCCCC)/CCCC(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
Other Databases
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA8145
PubChem CID
Cayman ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
318.47
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.53
Molar Refractivity
84.18
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Created at
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Updated at
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