LIPID MAPS

Structure Database (LMSD)

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Common Name

14,15-dehydro-LTB4

Systematic Name

5S,12R-dihydroxy-6Z,8E,10E-eicosatriene-14-ynoic acid

Synonyms

14,15-dehydro-Leukotriene B4

LM ID

LMFA03020017

Formula

C₂₀H₃₀O₄

Exact Mass

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334.21441

Sum Composition

FA 20:5;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

PRCVOEPTHWOJMX-CHHAPGPYSA-N

InChi (Click to copy)

InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,10-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,14-10+,15-11-/t18-,19-/m1/s1

SMILES (Click to copy)

C([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O)C#CCCCCC

References

Other Databases

CHEBI ID

184921

LIPIDBANK ID

XPR3119

PubChem CID

5283132

Cayman ID

20150

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 0

Aromatic Rings 0

Rotatable Bonds 12

Van der Waals Molecular Volume 373.88

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 4.18

Molar Refractivity 98.48

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