In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029AXK |
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Common Name | PE-Cer(d15:2(4E,6E)/13:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydodecanoyl)-4E,6E-pentadecasphingadienine-1-phosphoethanolamine |
Synonyms | PE-Cer(d28:2h); PE-Cer(d15:2/13:0h) |
Exact Mass | |
Formula | C30H59N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | HVUJGGXDHGXXEC-BJWHWLFLSA-N |
InChI | InChI=1S/C30H59N2O7P/c1-3-5-7-9-11-13-15-16-18-20-22-28(33)27(26-39-40(36,37)38- 25-24-31)32-30(35)29(34)23-21-19-17-14-12-10-8-6-4-2/h16,18,20,22,27-29,33-34H,3 -15,17,19,21,23-26,31H2,1-2H3,(H,32,35)(H,36,37)/b18-16+,22-20+/t27-,28+,29+/m0/ s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC C |
MS Spectra | - |
Status | Active (generated by computational methods) |