Structure Database (LMSD)
Common Name
5-((3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaen-1-yl)resorcinol
Systematic Name
5-((3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaen-1-yl)benzene-1,3-diol
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 5-((3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaen-1-yl)resorcinol
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)
QWMMZXHJINOJSZ-KUBAVDMBSA-N
InChi (Click to copy)
InChI=1S/C27H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h3-4,6-7,9-10,12-13,15-16,18-19,22-24,28-29H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C1(O)C=C(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C=C(O)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
1
Aromatic Rings
1
Rotatable Bonds
14
Van der Waals Molecular Volume
446.22
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
7.73
Molar Refractivity
126.31
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Created at
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Updated at
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