CID 122391299
Arachidonoylphenylalaninate
Structural Information
- Molecular Formula
- C29H41NO3
- SMILES
- CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
- InChI
- InChI=1S/C29H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(31)30-27(29(32)33)25-26-22-19-18-20-23-26/h6-7,9-10,12-13,15-16,18-20,22-23,27H,2-5,8,11,14,17,21,24-25H2,1H3,(H,30,31)(H,32,33)/b7-6-,10-9-,13-12-,16-15-/t27-/m0/s1
- InChIKey
- YHLNAFGXMQKMQX-CYPURTGSSA-N
- Compound name
- (2S)-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]-3-phenylpropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 452.31593 | 221.9 |
[M+Na]+ | 474.29787 | 220.5 |
[M-H]- | 450.30137 | 220.5 |
[M+NH4]+ | 469.34247 | 229.1 |
[M+K]+ | 490.27181 | 212.4 |
[M+H-H2O]+ | 434.30591 | 212.5 |
[M+HCOO]- | 496.30685 | 238.0 |
[M+CH3COO]- | 510.32250 | 233.9 |
[M+Na-2H]- | 472.28332 | 215.7 |
[M]+ | 451.30810 | 224.0 |
[M]- | 451.30920 | 224.0 |