In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029A88 |
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Common Name | PE-Cer(d16:1(8E)/14:1(9Z)) |
Systematic Name | N-(9Z-tetradecenoyl)-8E-hexadecasphingenine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C32H63N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | GJVRYCBZUJHSKZ-ZRUSNDNJSA-N |
InChI | InChI=1S/C32H63N2O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-31(35)30(29-40-41(37,38) 39-28-27-33)34-32(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,15,17,30-31,35H,3 -9,11,13-14,16,18-29,33H2,1-2H3,(H,34,36)(H,37,38)/b12-10-,17-15+/t30-,31+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |