CID 171119230
Am-pe(16:0/18:0)
Structural Information
- Molecular Formula
- C45H88NO13P
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCNC[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O
- InChI
- InChI=1S/C45H88NO13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(49)59-39(35-55-41(48)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-58-60(53,54)57-34-33-46-38-45(52)44(51)43(50)40(47)37-56-45/h39-40,43-44,46-47,50-52H,3-38H2,1-2H3,(H,53,54)/t39-,40-,43-,44+,45-/m1/s1
- InChIKey
- QLHGMDCRNBQTHK-AHJAKLPMSA-N
- Compound name
- [(2R)-1-hexadecanoyloxy-3-[hydroxy-[2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]ethoxy]phosphoryl]oxypropan-2-yl] octadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 882.60658 | 305.0 |
[M+Na]+ | 904.58852 | 302.7 |
[M-H]- | 880.59202 | 299.2 |
[M+NH4]+ | 899.63312 | 306.6 |
[M+K]+ | 920.56246 | 305.5 |
[M+H-H2O]+ | 864.59656 | 293.7 |
[M+HCOO]- | 926.59750 | 304.7 |
[M+CH3COO]- | 940.61315 | 304.9 |
[M+Na-2H]- | 902.57397 | 278.3 |
[M]+ | 881.59875 | 302.4 |
[M]- | 881.59985 | 302.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.