LIPID MAPS

Structure Database (LMSD)

Common Name

11-dehydro-2,3-dinor-TXB2

Systematic Name

2,3-dinor-9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E-dien-1-oic acid

Synonyms

LM ID

LMFA03030013

Status

Active

Exact Mass

Calculate m/z

340.18859

Formula

C₁₈H₂₈O₆

Abbrev

FA 18:4;O4

Show lipids differing only in stereochemistry/bond geometry

View lipid standard

Download as...

MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

PJAAKFHMQLYVGV-YCEKRRLLSA-N

InChi (Click to copy)

InChI=1S/C18H28O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h5-6,10-11,13-16,19-20H,2-4,7-9,12H2,1H3,(H,21,22)/b6-5-,11-10+/t13-,14-,15-,16+/m0/s1

SMILES (Click to copy)

C1[C@H](O)[C@H](C/C=C\CC(=O)O)[C@@H](/C=C/[C@@H](O)CCCCC)OC1=O

References

Other Databases

CHEBI ID

165346

PubChem CID

35024530

Cayman ID

19510

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 1

Aromatic Rings 0

Rotatable Bonds 10

Van der Waals Molecular Volume 349.78

Topological Polar Surface Area 106.13

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 3.06

Molar Refractivity 90.83

Admin

Created at

Updated at