In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03019AHQ |
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Common Name | PS(13:0/18:1(4E)) |
Systematic Name | 1-tridecanoyl-2-(4E-octadecenoyl)-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 | OCDZLRFXOIEJIN-DVUXEXNNSA-N |
InChI | InChI=1S/C37H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-36(40)48-33( 31-46-49(43,44)47-32-34(38)37(41)42)30-45-35(39)28-26-24-22-20-14-12-10-8-6-4-2/ h23,25,33-34H,3-22,24,26-32,38H2,1-2H3,(H,41,42)(H,43,44)/b25-23+/t33-,34+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC/C=C/CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCC )=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |