CID 52926227
Ps(p-18:0/19:1(9z))
Structural Information
- Molecular Formula
- C43H82NO9P
- SMILES
- CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCCC
- InChI
- InChI=1S/C43H82NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)53-40(38-51-54(48,49)52-39-41(44)43(46)47)37-50-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,34,36,40-41H,3-18,20,22-33,35,37-39,44H2,1-2H3,(H,46,47)(H,48,49)/b21-19-,36-34-/t40-,41+/m1/s1
- InChIKey
- LKKUTKGCRFISOZ-IOZNLBCKSA-N
- Compound name
- (2S)-2-amino-3-[hydroxy-[(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-[(Z)-octadec-1-enoxy]propoxy]phosphoryl]oxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 788.57998 | 286.3 |
[M+Na]+ | 810.56192 | 288.0 |
[M-H]- | 786.56542 | 278.3 |
[M+NH4]+ | 805.60652 | 291.0 |
[M+K]+ | 826.53586 | 291.0 |
[M+H-H2O]+ | 770.56996 | 275.5 |
[M+HCOO]- | 832.57090 | 281.6 |
[M+CH3COO]- | 846.58655 | 294.5 |
[M+Na-2H]- | 808.54737 | 263.9 |
[M]+ | 787.57215 | 282.7 |
[M]- | 787.57325 | 282.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.