In-Silico Structure database (LMISSD)
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LM ID | LMGP03019CEJ |
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Common Name | PS(18:4(9E,11E,13E,15E)/15:0) |
Systematic Name | 1-(9E,11E,13E,15E-octadecatetraenoyl)-2-pentadecanoyl-sn-glycero-3- phosphoserine |
Synonyms | PS(33:4); PS(15:0_18:4) |
Exact Mass | |
Formula | C39H68NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | Diacylglycerophosphoserines [GP0301] |
PubChem Compound ID (CID) | - |
InChIKey | WGKCSYLDWCDPTI-JIUNVVOGSA-N |
InChI | InChI=1S/C39H68NO10P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(41)47-32- 35(33-48-51(45,46)49-34-36(40)39(43)44)50-38(42)31-29-27-25-23-20-16-14-12-10-8- 6-4-2/h5,7,9,11,13,15,17-18,35-36H,3-4,6,8,10,12,14,16,19-34,40H2,1-2H3,(H,43,44 )(H,45,46)/b7-5+,11-9+,15-13+,18-17+/t35-,36+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/C= C/C=C/CC)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |