In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AAX |
---|---|
Common Name | PC(10:0/20:2(7E,14Z)(5Ep,9Ke,11OH){8,12}) |
Systematic Name | 1-decanoyl-2-(5,6-epoxy-isoPE2)-sn-glycero-3-phosphocholine |
Synonyms | PC(30:2(Ep,Ke,OH,ring)); PC(10:0/20:2(Ep,Ke,OH,ring)) |
Exact Mass | |
Formula | C38H66NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | YAZLIIWZMFMXPE-XNNAWSTISA-N |
InChI | InChI=1S/C38H66NO11P/c1-6-8-10-12-14-16-18-22-37(42)46-28-30(29-48-51(44,45)47-2 5-24-39(3,4)5)49-38(43)23-19-21-35-36(50-35)26-32-31(33(40)27-34(32)41)20-17-15- 13-11-9-7-2/h15,17,26,30-31,33,35-36,40H,6-14,16,18-25,27-29H2,1-5H3/b17-15-,32- 26+/t30-,31?,33?,35?,36?/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC1OC1/C=C1/C(=O)CC(O)C/1C/C=C\CCCCC )=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |