LIPID MAPS

Structure Database (LMSD)

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Common Name

11-dehydro-TXB3

Systematic Name

9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E,17Z-trienoic acid

Synonyms

11-dehydro-Thromboxane B3

LM ID

LMFA03030009

Formula

C₂₀H₃₀O₆

Exact Mass

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366.20424

Sum Composition

FA 20:5;O4

Status

Active

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Main

Classification

String Representations

InChiKey (Click to copy)

OAHMLWQISGEXBB-XMEKLSCHSA-N

InChi (Click to copy)

InChI=1S/C20H30O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t15-,16-,17-,18+/m0/s1

SMILES (Click to copy)

C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)C/C=C\CC)OC(=O)C[C@@H]1O)(=O)O

References

Other Databases

CHEBI ID

165347

PubChem CID

16061115

Cayman ID

19995

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings 0

Rotatable Bonds 11

Van der Waals Molecular Volume 381.74

Topological Polar Surface Area 106.13

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 3.61

Molar Refractivity 99.97

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