In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019BHS |
---|---|
Common Name | Cer(d18:1(4E)/13:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydodecanoyl)-4E-sphingenine |
Synonyms | Cer(d31:1h); Cer(d18:1/13:0h) |
Exact Mass | |
Formula | C31H61NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | YNWIIJHDKIGMSD-LSBPLPMTSA-N |
InChI | InChI=1S/C31H61NO4/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(34)28(27-33)32-31 (36)30(35)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-30,33-35H,3-22,24,26-27H2,1-2H3 ,(H,32,36)/b25-23+/t28-,29+,30+/m0/s1 |
SMILES | [C@](CO)([H])(NC([C@H](O)CCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |