CID 53481446
10,11-dihydro-12r-hydroxy-leukotriene e4
Structural Information
- Molecular Formula
- C23H39NO6S
- SMILES
- CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O
- InChI
- InChI=1S/C23H39NO6S/c1-2-3-4-5-6-8-12-18(25)13-9-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h6-10,15,18-21,25-26H,2-5,11-14,16-17,24H2,1H3,(H,27,28)(H,29,30)/b8-6-,9-7+,15-10+/t18-,19+,20-,21+/m0/s1
- InChIKey
- FZJOTYMARNGISF-YXSOTRFDSA-N
- Compound name
- (5S,6R,7E,9E,12S,14Z)-6-[(2S)-2-amino-2-carboxyethyl]sulfanyl-5,12-dihydroxyicosa-7,9,14-trienoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 458.25710 | 216.3 |
[M+Na]+ | 480.23904 | 221.1 |
[M-H]- | 456.24254 | 210.9 |
[M+NH4]+ | 475.28364 | 214.9 |
[M+K]+ | 496.21298 | 218.0 |
[M+H-H2O]+ | 440.24708 | 208.6 |
[M+HCOO]- | 502.24802 | 209.0 |
[M+CH3COO]- | 516.26367 | 227.5 |
[M+Na-2H]- | 478.22449 | 203.6 |
[M]+ | 457.24927 | 209.9 |
[M]- | 457.25037 | 209.9 |