| SpectraBase Spectrum ID |
1Zx75YCwUob |
| Name |
Cer(d14:1/18:1)+HCO2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
507.465144825 u |
| Formula |
C32H61NO3 |
| InChI |
InChI=1S/C32H61NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h15-16,25,27,30-31,34-35H,3-14,17-24,26,28-29H2,1-2H3,(H,33,36)/b16-15-,27-25+/t30-,31+/m0/s1 |
| InChIKey |
JJDNNDHNNIWYHJ-IHMINBDXSA-N |
| Ion Polarity |
N |
| Literature Reference |
Koelmel, J. P.; Kroeger, N. M.; Ulmer, C. Z.; Bowden, J. A.; Patterson, R. E.; Cochran, J. A.; Beecher, C. W. W.; Garrett, T. J.; Yost, R. A. LipidMatch: An Automated Workflow for Rule-Based Lipid Identification Using Untargeted High-Resolution Tandem Mass Spectrometry Data. BMC Bioinformatics 2017, 18 (1). |
| Literature Reference DOI |
10.1186/s12859-017-1744-3 |
| Precursor Ion |
[M+HCO2]- |
| SMILES |
O[C@@]([C@](CO)(NC(=O)CCCCCCC\C=C/CCCCCCCC)[H])(\C=C\CCCCCCCCC)[H] |
| Sample Comments |
LM ID: LMSP02010035 |
| Synonyms |
N-(9Z-octadecenoyl)-tetradecasphing-4-enine
Cer(d14:1(4E)/18:1(9Z))
Cer[NS] |
