| SpectraBase Spectrum ID |
KA7XViHg8F3 |
| Name |
Cer 25:2;3O/16:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
661.564524514 u |
| Formula |
C41H75NO5 |
| InChI |
InChI=1S/C41H75NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-38(44)40(46)37(36-43)42-41(47)39(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h21-22,24,26-28,31,33,37-40,43-46H,3-20,23,25,29-30,32,34-36H2,1-2H3,(H,42,47)/b22-21+,27-24-,28-26+,33-31- |
| InChIKey |
GXDKINCFWXHQRO-ZVAUOAFRNA-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 |
CCCCCCCCCCCC\C=C\CC\C=C\CCCC(O)C(O)C(CO)NC(=O)C(O)C\C=C/C\C=C/CCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
