In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03019BDK |
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Common Name | PS(18:1(13Z)/13:0) |
Systematic Name | 1-(13Z-octadecenoyl)-2-tridecanoyl-sn-glycero-3-phosphoserine |
Synonyms | PS(31:1); PS(13:0_18:1) |
Exact Mass | |
Formula | C37H70NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | Diacylglycerophosphoserines [GP0301] |
PubChem Compound ID (CID) | - |
InChIKey | VKIITWWXUAWCDN-SQKHGIEOSA-N |
InChI | InChI=1S/C37H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-35(39)45-30- 33(31-46-49(43,44)47-32-34(38)37(41)42)48-36(40)29-27-25-23-20-14-12-10-8-6-4-2/ h9,11,33-34H,3-8,10,12-32,38H2,1-2H3,(H,41,42)(H,43,44)/b11-9-/t33-,34+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCCCCCC/C=C\CCCC )=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |