In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019BA6 |
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Common Name | GlcCer(d16:2(4E,6E)/10:0) |
Systematic Name | N-(decanoyl)-1-β-glucosyl-4E,6E-hexadecasphingadienine |
Synonyms | - |
Exact Mass | |
Formula | C32H59NO8 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | QWLLSTDJJUDFQW-AVZFRRTOSA-N |
InChI | InChI=1S/C32H59NO8/c1-3-5-7-9-11-12-13-14-16-17-19-21-26(35)25(33-28(36)22-20-18 -15-10-8-6-4-2)24-40-32-31(39)30(38)29(37)27(23-34)41-32/h16-17,19,21,25-27,29-3 2,34-35,37-39H,3-15,18,20,22-24H2,1-2H3,(H,33,36)/b17-16+,21-19+/t25-,26+,27+,29 +,30?,31?,32+/m0/s1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)/C=C/ C=C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |