In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AB2 |
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Common Name | PC(10:0/8:1(6E)(5OH,8OH,8Ke)) |
Systematic Name | 1-decanoyl-2-(5-hydroxy-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(18:1(OH2,Ke)); PC(10:0/8:1(OH2,Ke)) |
Exact Mass | |
Formula | C26H48NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | IAUNPGHRXXQNSJ-NCRQRIGPSA-N |
InChI | InChI=1S/C26H48NO11P/c1-5-6-7-8-9-10-11-14-25(31)35-20-23(21-37-39(33,34)36-19-1 8-27(2,3)4)38-26(32)15-12-13-22(28)16-17-24(29)30/h16-17,22-23,28H,5-15,18-21H2, 1-4H3,(H-,29,30,33,34)/b17-16+/t22?,23-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |