In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029AUL |
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Common Name | PE-Cer(d15:1(8E)/11:0) |
Systematic Name | N-(undecanoyl)-8E-pentadecasphingenine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C28H57N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | HKCRPFFEDXLGIH-XJXZZZRASA-N |
InChI | InChI=1S/C28H57N2O6P/c1-3-5-7-9-11-13-14-15-17-19-21-27(31)26(25-36-37(33,34)35- 24-23-29)30-28(32)22-20-18-16-12-10-8-6-4-2/h13-14,26-27,31H,3-12,15-25,29H2,1-2 H3,(H,30,32)(H,33,34)/b14-13+/t26-,27+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |