CID 52926250
Ps(p-20:0/18:1(9z))
Structural Information
- Molecular Formula
- C44H84NO9P
- SMILES
- CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC
- InChI
- InChI=1S/C44H84NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-51-38-41(39-52-55(49,50)53-40-42(45)44(47)48)54-43(46)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22,35,37,41-42H,3-17,19-21,23-34,36,38-40,45H2,1-2H3,(H,47,48)(H,49,50)/b22-18-,37-35-/t41-,42+/m1/s1
- InChIKey
- RGNLPONMVZHUON-LGWZPJDBSA-N
- Compound name
- (2S)-2-amino-3-[hydroxy-[(2R)-3-[(Z)-icos-1-enoxy]-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 802.59568 | 289.4 |
[M+Na]+ | 824.57762 | 291.0 |
[M-H]- | 800.58112 | 281.0 |
[M+NH4]+ | 819.62222 | 294.1 |
[M+K]+ | 840.55156 | 294.4 |
[M+H-H2O]+ | 784.58566 | 278.5 |
[M+HCOO]- | 846.58660 | 284.3 |
[M+CH3COO]- | 860.60225 | 297.1 |
[M+Na-2H]- | 822.56307 | 266.6 |
[M]+ | 801.58785 | 285.9 |
[M]- | 801.58895 | 285.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.