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LM ID | LMFA03030001 |
Common Name | TXA2 (W) |
Systematic Name | 9S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E-dien-1-oic acid |
Synonyms | Thromboxane A2 |
Exact Mass | |
Formula | C20H32O5 |
Category | Fatty Acyls [FA] |
Main Class | Eicosanoids [FA03] |
Sub Class | Thromboxanes [FA0303] |
Alternative Classes | Unsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105] |
LIPIDBANK ID | XPR2001 |
PubChem CID | 5280497 |
KEGG ID | C02198 |
HMDB ID | HMDB0001452 |
CHEBI ID | 15627 |
SWISSLIPIDS ID | SLM:000390041 |
InChIKey | DSNBHJFQCNUKMA-SCKDECHMSA-N
Show lipids differing only in stereochemistry/bond geometry |
InChI | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-1 1-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/ t15-,16+,17+,18-,20+/m0/s1 |
SMILES | C(O)(=O)CCC/C=C\C[C@H]1[C@H]2O[C@@H](O[C@@H]1/C=C/[C@@H](O)CCCCC)C2 |
Status | Active |
Calculated physicochemical properties (?): |
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| Heavy Atoms | 25 | Rings | 3 | Aromatic Rings | 0 | Rotatable Bonds | 12 |
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| van der Waals Molecular Volume | 362.07 | Topological Polar Surface Area | 80.13 | Hydrogen Bond Donors | 2 | Hydrogen Bond Acceptors | 5 |
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| logP | 4.96 | Molar Refractivity | 98.22 | | | | |
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