In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029AAV |
---|---|
Common Name | PE-Cer(d14:0/17:2(9Z,12Z)) |
Systematic Name | N-(9Z,12Z-heptadecadienoyl)-tetradecasphinganine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C33H65N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | UFQUIXLQOOXQPD-MYJIPVHSSA-N |
InChI | InChI=1S/C33H65N2O6P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-33(37)35-31(30- 41-42(38,39)40-29-28-34)32(36)26-24-22-20-18-12-10-8-6-4-2/h9,11,14-15,31-32,36H ,3-8,10,12-13,16-30,34H2,1-2H3,(H,35,37)(H,38,39)/b11-9-,15-14-/t31-,32+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCC/C=C\C/C=C\CCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |