In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02059ABE |
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Common Name | CerP(d14:0/18:3(6Z,9Z,12Z)) |
Systematic Name | N-(6Z,9Z,12Z-octadecatrienoyl)-tetradecasphinganine-1-phosphate |
Synonyms | - |
Exact Mass | |
Formula | C32H60NO6P |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | Ceramide 1-phosphates [SP0205] |
PubChem Compound ID (CID) | - |
InChIKey | HSSUTXWBTUYMKX-JTHQRABWSA-N |
InChI | InChI=1S/C32H60NO6P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(35)33-30(2 9-39-40(36,37)38)31(34)27-25-23-21-19-12-10-8-6-4-2/h11,13,15-16,18,20,30-31,34H ,3-10,12,14,17,19,21-29H2,1-2H3,(H,33,35)(H2,36,37,38)/b13-11-,16-15-,20-18-/t30 -,31+/m0/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(NC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |