In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AB5 |
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Common Name | PC(10:0/9:2(5E,7E)(4Ke,9Ke)) |
Systematic Name | 1-decanoyl-2-(4,9-dioxo-5E,7E-nonadienoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(19:2(Ke2)); PC(10:0/9:2(Ke2)) |
Exact Mass | |
Formula | C27H46NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | ACBLRXQCKFNQLR-QXFWBFOWSA-N |
InChI | InChI=1S/C27H46NO10P/c1-5-6-7-8-9-10-13-16-26(31)35-22-25(23-37-39(33,34)36-21-1 9-28(2,3)4)38-27(32)18-17-24(30)15-12-11-14-20-29/h11-12,14-15,20,25H,5-10,13,16 -19,21-23H2,1-4H3/b14-11+,15-12+/t25-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC)= O |
MS Spectra | - |
Status | Active (generated by computational methods) |