| SpectraBase Spectrum ID |
FLQfgnjwKCd |
| Name |
DGDG O-24:3_26:5 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1114.789558208 u |
| Formula |
C65H110O14 |
| InChI |
InChI=1S/C65H110O14/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-42-44-46-48-57(67)77-54(51-74-49-47-45-43-41-39-37-35-33-31-29-26-24-22-20-18-16-14-12-10-8-6-4-2)52-75-64-63(73)61(71)59(69)56(79-64)53-76-65-62(72)60(70)58(68)55(50-66)78-65/h5,7,11,13,16-19,22-25,28-31,54-56,58-66,68-73H,3-4,6,8-10,12,14-15,20-21,26-27,32-53H2,1-2H3/b7-5-,13-11-,18-16-,19-17-,24-22-,25-23-,30-28-,31-29- |
| InChIKey |
NYNLCWHRGIDHDN-YEYYNATRNA-N |
| Ion Polarity |
N |
| Literature Reference |
Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
| Literature Reference DOI |
https://doi.org/10.1038/s41587-020-0531-2 |
| Precursor Ion |
[M+CH3COO]- |
| SMILES |
CCCCCCC\C=C/C\C=C/C\C=C/CCCCCCCCCOCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
