| SpectraBase Spectrum ID |
LKjlQiAUEyP |
| Name |
zymosteryl oleate +NH4 |
| ChEBI ID |
52384 |
| Classification |
Sterol Lipids [ST] |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
648.584531685 u |
| Formula |
C45H76O2 |
| InChI |
InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,23,36-38,40-41H,7-13,16-22,24-34H2,1-6H3/b15-14-/t36-,37+,38+,40-,41+,44+,45-/m1/s1 |
| InChIKey |
UQDRGTMESOOVKB-LBIJMCEOSA-N |
| Ion Polarity |
P |
| 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+NH4]+ |
| SMILES |
C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2(C[C@](C1)(OC(CCCCCCC\C=C/CCCCCCCC)=O)[H])[H])(CC[C@@]4([C@@](CCC=C(C)C)(C)[H])[H])[H])C)C |
| Sample Comments |
LM ID: LMST01020034 |
| Synonyms |
5alpha-cholesta-8,24-dien-3beta-yl (9Z)-octadec-9-enoate |
