In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029A54 |
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Common Name | PE-Cer(d16:1(4E)/11:0(2OH[R])) |
Systematic Name | N-(2R-hydroxyundecanoyl)-4E-hexadecasphingenine-1-phosphoethanolamine |
Synonyms | PE-Cer(d27:1h); PE-Cer(d16:1/11:0h) |
Exact Mass | |
Formula | C29H59N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | QTWYYZQTLZQQSY-GVMHOWBOSA-N |
InChI | InChI=1S/C29H59N2O7P/c1-3-5-7-9-11-12-13-14-16-17-19-21-27(32)26(25-38-39(35,36) 37-24-23-30)31-29(34)28(33)22-20-18-15-10-8-6-4-2/h19,21,26-28,32-33H,3-18,20,22 -25,30H2,1-2H3,(H,31,34)(H,35,36)/b21-19+/t26-,27+,28+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |