In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029AL2 |
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Common Name | PE-Cer(d14:2(4E,8E)/14:0(2OH[R])) |
Systematic Name | N-(2R-hydroxytetradecanoyl)-4E,8E-tetradecasphingadienine-1-phosphoethanolamine |
Synonyms | PE-Cer(d28:2h); PE-Cer(d14:2/14:0h) |
Exact Mass | |
Formula | C30H59N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | VSZHDSILXDNDCF-JCNCIFDGSA-N |
InChI | InChI=1S/C30H59N2O7P/c1-3-5-7-9-11-13-15-17-19-21-23-29(34)30(35)32-27(26-39-40( 36,37)38-25-24-31)28(33)22-20-18-16-14-12-10-8-6-4-2/h12,14,20,22,27-29,33-34H,3 -11,13,15-19,21,23-26,31H2,1-2H3,(H,32,35)(H,36,37)/b14-12+,22-20+/t27-,28+,29+/ m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCC CC |
MS Spectra | - |
Status | Active (generated by computational methods) |