| SpectraBase Spectrum ID |
4wkiRnD9qxo |
| Name |
CerP 17:1;2O/16:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide-1-phosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
603.462775841 u |
| Formula |
C33H66NO6P |
| InChI |
InChI=1S/C33H66NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)34-31(30-40-41(37,38)39)32(35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h26,28,31-32,35H,3-25,27,29-30H2,1-2H3,(H,34,36)(H2,37,38,39)/b28-26+/t31-,32+/m0/s1 |
| InChIKey |
ZJADRTLINQHCSK-STSAHMJASA-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-H]- |
| SMILES |
CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
