LIPID MAPS

Structure Database (LMSD)

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Common Name

15R-HEDE

Systematic Name

15R-hydroxy-11Z-13E-eicosadienoic acid

Synonyms

LM ID

LMFA03000008

Formula

C₂₀H₃₆O₃

Exact Mass

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324.266445

Sum Composition

FA 20:2;O

Status

Active

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Main

Classification

String Representations

InChiKey (Click to copy)

ZTRWPEHMGCHTIT-BABDSNKVSA-N

InChi (Click to copy)

InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+/t19-/m1/s1

SMILES (Click to copy)

C(C/C=C\C=C\[C@H](O)CCCCC)CCCCCCCC(=O)O

References

Other Databases

CHEBI ID

165296

PubChem CID

5282705

Cayman ID

37710

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 0

Aromatic Rings 0

Rotatable Bonds 16

Van der Waals Molecular Volume 373.01

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 5.92

Molar Refractivity 98.13

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