CID 134812387
Pkooa-ps
Structural Information
- Molecular Formula
- C30H52NO12P
- SMILES
- CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCC(=O)/C=C/C=O
- InChI
- InChI=1S/C30H52NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-28(34)40-22-26(23-41-44(38,39)42-24-27(31)30(36)37)43-29(35)20-15-17-25(33)18-16-21-32/h16,18,21,26-27H,2-15,17,19-20,22-24,31H2,1H3,(H,36,37)(H,38,39)/b18-16+/t26-,27+/m1/s1
- InChIKey
- JPICCZKFIKMBKW-YKTDOQSASA-N
- Compound name
- (2S)-2-amino-3-[[(2R)-2-[(E)-5,8-dioxooct-6-enoyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 650.32998 | 251.7 |
[M+Na]+ | 672.31192 | 256.1 |
[M-H]- | 648.31542 | 254.7 |
[M+NH4]+ | 667.35652 | 262.5 |
[M+K]+ | 688.28586 | 253.7 |
[M+H-H2O]+ | 632.31996 | 243.7 |
[M+HCOO]- | 694.32090 | 248.3 |
[M+CH3COO]- | 708.33655 | 265.4 |
[M+Na-2H]- | 670.29737 | 235.3 |
[M]+ | 649.32215 | 249.4 |
[M]- | 649.32325 | 249.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.