| SpectraBase Spectrum ID |
ALOcddf9Old |
| Name |
zymosteryl palmitoleate +NH4 |
| ChEBI ID |
52385 |
| Classification |
Sterol Lipids [ST] |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
620.553231556 u |
| Formula |
C43H72O2 |
| InChI |
InChI=1S/C43H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,21,34-36,38-39H,7-11,14-20,22-32H2,1-6H3/b13-12-/t34-,35+,36+,38-,39+,42+,43-/m1/s1 |
| InChIKey |
RKBOCYGCMVZAEZ-MMBTXPDKSA-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/CCCCCC)=O)[H])[H])(CC[C@@]4([C@@](CCC=C(C)C)(C)[H])[H])[H])C)C |
| Sample Comments |
LM ID: LMST01020035 |
| Synonyms |
5alpha-cholesta-8,24-dien-3beta-yl (9Z)-hexadec-9-enoate |
