LIPID MAPS

Structure Database (LMSD)

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Common Name

11-trans-LTE4

Systematic Name

5S-hydroxy-6R-(S-cysteinyl)-7E,9E,11E14Z-eicosatetraenoic acid

Synonyms

11-trans-Leukotriene E4

LM ID

LMFA03020022

Formula

C₂₃H₃₇NO₅S

Exact Mass

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439.239246

Status

Active

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Main

Classification

String Representations

InChiKey (Click to copy)

OTZRAYGBFWZKMX-DVFCZEDWSA-N

InChi (Click to copy)

InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9+,12-11+,16-13+/t19-,20-,21+/m0/s1

SMILES (Click to copy)

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

References

Other Databases

HMDB ID

HMDB0062286

CHEBI ID

72779

LIPIDBANK ID

XPR3402

PubChem CID

5283136

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 0

Aromatic Rings 0

Rotatable Bonds 18

Van der Waals Molecular Volume 464.08

Topological Polar Surface Area 120.85

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 5

logP 5.46

Molar Refractivity 126.70

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