LIPID MAPS

Structure Database (LMSD)

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Common Name

5S,6S-DiHETE

Systematic Name

5S,6S-dihydroxy-7E,9E,11Z,14Z-eicosatetraenoic acid

Synonyms

LM ID

LMFA03060018

Formula

C₂₀H₃₂O₄

Exact Mass

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336.23006

Sum Composition

FA 20:4;O2

Status

Active

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Main

Classification

String Representations

InChiKey (Click to copy)

UVZBUUTTYHTDRR-WAQVJNLQSA-N

InChi (Click to copy)

InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-13,15,18-19,21-22H,2-5,8,14,16-17H2,1H3,(H,23,24)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1

SMILES (Click to copy)

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

References

Other Databases

CHEBI ID

53026

LIPIDBANK ID

DFA8103

PubChem CID

5283161

Cayman ID

35210

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 0

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 376.52

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 4.73

Molar Refractivity 99.84

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