In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029BHT |
---|---|
Common Name | PE-Cer(d17:0/13:0) |
Systematic Name | N-(tridecanoyl)-heptadecasphinganine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C32H67N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | HLDACJOKDGMQKR-IOWSJCHKSA-N |
InChI | InChI=1S/C32H67N2O6P/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/h30-31,35H,3-29,33H2,1-2 H3,(H,34,36)(H,37,38)/t30-,31+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |