Structure Database (LMSD)

Common Name
all-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid
Systematic Name
(2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid
Synonyms
LM ID
LMFA01050502
Formula
Exact Mass
Calculate m/z
264.172545
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
CMIWOGJRXHRRFL-CQWJRODPSA-N
InChi (Click to copy)
InChI=1S/C16H24O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h6-12,14-15,17H,2-5,13H2,1H3,(H,18,19)/b7-6+,10-8+,12-9+,14-11+
SMILES (Click to copy)
C(=O)(O)/C=C/C=C/CC(O)/C=C/C=C/CCCCC

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 298.53
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.91
Molar Refractivity 79.47

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Created at
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Updated at
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