CID 131779829
Cl(a-13:0/i-21:0/18:2(9z,11z)/i-16:0)[rac]
Structural Information
- Molecular Formula
- C77H146O17P2
- SMILES
- CCCCCC/C=C\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)O)OC(=O)CCCCCCCCCCCCC(C)C
- InChI
- InChI=1S/C77H146O17P2/c1-8-10-11-12-13-14-15-16-18-22-25-31-36-44-51-58-74(79)87-64-72(93-77(82)61-54-47-38-33-28-27-30-35-42-49-56-69(5)6)66-91-95(83,84)89-62-71(78)63-90-96(85,86)92-67-73(65-88-75(80)59-52-45-40-39-43-50-57-70(7)9-2)94-76(81)60-53-46-37-32-26-23-20-17-19-21-24-29-34-41-48-55-68(3)4/h14-16,18,68-73,78H,8-13,17,19-67H2,1-7H3,(H,83,84)(H,85,86)/b15-14-,18-16-/t70?,71-,72-,73-/m1/s1
- InChIKey
- VXCJASRZKYDGEA-KMCVWYADSA-N
- Compound name
- [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylpentadecanoyloxy)-3-[(9Z,11Z)-octadeca-9,11-dienoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 19-methylicosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1406.0108 | 429.5 |
[M+Na]+ | 1427.9927 | 423.5 |
[M-H]- | 1403.9962 | 423.7 |
[M+NH4]+ | 1423.0373 | 451.2 |
[M+K]+ | 1443.9667 | 441.8 |
[M+H-H2O]+ | 1388.0008 | 412.6 |
[M+HCOO]- | 1450.0017 | 400.3 |
[M+CH3COO]- | 1464.0174 | 373.9 |
[M+Na-2H]- | 1425.9782 | 394.2 |
[M]+ | 1405.0030 | 454.4 |
[M]- | 1405.0040 | 454.4 |
Literature stripe
Patent stripe
No patent data available for this compound.