In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AAL |
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Common Name | PE(10:0/18:2(10E,12Z)(9OH[S])) |
Systematic Name | 1-decanoyl-2-(9S-HODE)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(28:2(OH)); PE(10:0/18:2(OH)) |
Exact Mass | |
Formula | C33H62NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | IBMAZILVIBIEQB-VCPBYAQZSA-N |
InChI | InChI=1S/C33H62NO9P/c1-3-5-7-9-11-14-18-22-30(35)23-19-15-13-17-21-25-33(37)43-3 1(29-42-44(38,39)41-27-26-34)28-40-32(36)24-20-16-12-10-8-6-4-2/h11,14,18,22,30- 31,35H,3-10,12-13,15-17,19-21,23-29,34H2,1-2H3,(H,38,39)/b14-11-,22-18+/t30-,31- /m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC[C@H](O)/C=C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |