In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029BQH |
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Common Name | PE-Cer(d17:2(4E,8E)/13:0) |
Systematic Name | N-(tridecanoyl)-4E,8E-heptadecasphingadienine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C32H63N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | PLRDNOSHICQDAW-CLJFOBAHSA-N |
InChI | InChI=1S/C32H63N2O6P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-31(35)30(29-40-41(37, 38)39-28-27-33)34-32(36)26-24-22-20-18-14-12-10-8-6-4-2/h16-17,23,25,30-31,35H,3 -15,18-22,24,26-29,33H2,1-2H3,(H,34,36)(H,37,38)/b17-16+,25-23+/t30-,31+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |