CID 25245696
Dgdg 16:0_18:2
Structural Information
- Molecular Formula
- C49H88O15
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C49H88O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h11,13,17-18,37-39,42-50,53-58H,3-10,12,14-16,19-36H2,1-2H3/b13-11-,18-17-
- InChIKey
- QZXMUPATKGLZAP-BCTRXSSUSA-N
- Compound name
- [1-hexadecanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 917.61958 | 308.1 |
[M+Na]+ | 939.60152 | 305.7 |
[M-H]- | 915.60502 | 303.1 |
[M+NH4]+ | 934.64612 | 307.8 |
[M+K]+ | 955.57546 | 308.9 |
[M+H-H2O]+ | 899.60956 | 307.2 |
[M+HCOO]- | 961.61050 | 316.1 |
[M+CH3COO]- | 975.62615 | 309.8 |
[M+Na-2H]- | 937.58697 | 319.3 |
[M]+ | 916.61175 | 306.1 |
[M]- | 916.61285 | 306.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.