CID 118701792
1-o-palmitoyl-cer(d18:1/18:0)
Structural Information
- Molecular Formula
- C52H101NO4
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC(=O)CCCCCCCCCCCCCCC)[C@@H](/C=C/CCCCCCCCCCCCC)O
- InChI
- InChI=1S/C52H101NO4/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-51(55)53-49(50(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)48-57-52(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3/h42,45,49-50,54H,4-41,43-44,46-48H2,1-3H3,(H,53,55)/b45-42+/t49-,50+/m0/s1
- InChIKey
- HSSDQCMTKYUCID-CWEFCRPCSA-N
- Compound name
- [(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] hexadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 804.78038 | 310.1 |
[M+Na]+ | 826.76232 | 314.6 |
[M-H]- | 802.76582 | 293.9 |
[M+NH4]+ | 821.80692 | 312.0 |
[M+K]+ | 842.73626 | 321.9 |
[M+H-H2O]+ | 786.77036 | 308.0 |
[M+HCOO]- | 848.77130 | 302.2 |
[M+CH3COO]- | 862.78695 | 306.6 |
[M+Na-2H]- | 824.74777 | 288.1 |
[M]+ | 803.77255 | 307.2 |
[M]- | 803.77365 | 307.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.