Basic information
- Standard SMILES
CCC=CCC=CCC=CCC=CC/C=C\CCCC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O- InChIKey
JFKDCCZRUPWQEY-ZTNDDWLWSA-N- Molecular formula
- C29H40NO7P
- Average molar mass
- 545.6 g/mol
Names & identifiers
- Preferred name
- N-(cis-5,8,11,14,17-Eicosapentaenoyl)-O-Phospho-L-Tyrosine
- IUPAC
- (2S)-2-[[(5Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid
Names & synonyms
SCHEMBL7725237JFKDCCZRUPWQEY-ZTNDDWLWSA-NN-(cis-5,8,11,14,17-Eicosapentaenoyl)-O-Phospho-L-Tyrosine
Database identifiers
- PubChem CID
- 70173995
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 19
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 864
Related reactions
2 records
Compound notes
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