In-Silico Structure Database (LMISSD)

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LMISSD: Lipid Classification search results

Glycerophospholipids [GP](W)  --> Oxidized glycerophospholipids [GP20] --> Oxidized glycerophosphocholines [GP2001]

LM_ID Common Name Systematic Name Formula Mass
LMISGP20019BTJ PC(18:2(9Z,12Z)/18:2(9Z,12Z)(8OH[S])) 1-(9Z,12Z-octadecadienoyl)-2-(8S-HODE)-sn-glycero-3-phosphocholine C44H80NO9P 797.5571
LMISGP20019BTK PC(18:2(9Z,12Z)/18:2(9Z,15Z)(12OH[R])) 1-(9Z,12Z-octadecadienoyl)-2-(12R-HODE)-sn-glycero-3-phosphocholine C44H80NO9P 797.5571
LMISGP20019BTL PC(18:2(9Z,12Z)/18:2(9Z,15Z)(12OH[S])) 1-(9Z,12Z-octadecadienoyl)-2-(12S-HODE)-sn-glycero-3-phosphocholine C44H80NO9P 797.5571
LMISGP20019BTN PC(18:2(9Z,12Z)/20:2(5Z,13E)(11OH[R],9Ke,15OH[S]){8a,12b}) 1-(9Z,12Z-octadecadienoyl)-2-PGE2-sn-glycero-3-phosphocholine C46H80NO11P 853.5469
LMISGP20019BTO PC(18:2(9Z,12Z)/20:2(5Z,13E)(9OH[S],11Ke,15OH[S]){8a,12b}) 1-(9Z,12Z-octadecadienoyl)-2-PGD2-sn-glycero-3-phosphocholine C46H80NO11P 853.5469
LMISGP20019BTP PC(18:2(9Z,12Z)/20:2(7E,14Z)(5Ep,9Ke,11OH){8,12}) 1-(9Z,12Z-octadecadienoyl)-2-(5,6-epoxy-isoPE2)-sn-glycero-3-phosphocholine C46H78NO11P 851.5313
LMISGP20019BTQ PC(18:2(9Z,12Z)/20:3(7E,10Z,14Z)(5Ep,9Ke){8,12}) 1-(9Z,12Z-octadecadienoyl)-2-(5,6-epoxycyclopentenone)-sn-glycero-3-phosphocholine C46H76NO10P 833.5207
LMISGP20019BTR PC(18:2(9Z,12Z)/20:4(5Z,7E,11Z,14Z)(9Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(9-Oxo-ETE)-sn-glycero-3-phosphocholine C46H78NO9P 819.5414
LMISGP20019BTS PC(18:2(9Z,12Z)/20:4(5Z,7E,11Z,14Z)(9OH[S])) 1-(9Z,12Z-octadecadienoyl)-2-(9S-HETE)-sn-glycero-3-phosphocholine C46H80NO9P 821.5571
LMISGP20019BTT PC(18:2(9Z,12Z)/20:4(5Z,8Z,10E,14Z)(12Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(12-Oxo-ETE)-sn-glycero-3-phosphocholine C46H78NO9P 819.5414
LMISGP20019BTU PC(18:2(9Z,12Z)/20:4(5Z,8Z,10E,14Z)(12OH[S])) 1-(9Z,12Z-octadecadienoyl)-2-(12S-HETE)-sn-glycero-3-phosphocholine C46H80NO9P 821.5571
LMISGP20019BTV PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,13E)(15Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(15-Oxo-ETE)-sn-glycero-3-phosphocholine C46H78NO9P 819.5414
LMISGP20019BTW PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,13E)(15OH[S])) 1-(9Z,12Z-octadecadienoyl)-2-(15S-HETE)-sn-glycero-3-phosphocholine C46H80NO9P 821.5571
LMISGP20019BTX PC(18:2(9Z,12Z)/20:4(5Z,8Z,12E,14Z)(11Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(11-oxo-ETE)-sn-glycero-3-phosphocholine C46H78NO9P 819.5414
LMISGP20019BTY PC(18:2(9Z,12Z)/20:4(5Z,8Z,12E,14Z)(11OH[S])) 1-(9Z,12Z-octadecadienoyl)-2-(11S-HETE)-sn-glycero-3-phosphocholine C46H80NO9P 821.5571
LMISGP20019BTZ PC(18:2(9Z,12Z)/20:4(5Z,9E,11Z,14Z)(8Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(8-Oxo-ETE)-sn-glycero-3-phosphocholine C46H78NO9P 819.5414
LMISGP20019BT0 PC(18:2(9Z,12Z)/20:4(5Z,9E,11Z,14Z)(8OH[S])) 1-(9Z,12Z-octadecadienoyl)-2-(8S-HETE)-sn-glycero-3-phosphocholine C46H80NO9P 821.5571
LMISGP20019BT1 PC(18:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)(5Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(5-Oxo-ETE)-sn-glycero-3-phosphocholine C46H78NO9P 819.5414
LMISGP20019BT2 PC(18:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)(5OH[S])) 1-(9Z,12Z-octadecadienoyl)-2-(5S-HETE)-sn-glycero-3-phosphocholine C46H80NO9P 821.5571
LMISGP20019BT3 PC(18:2(9Z,12Z)/22:6(4Z,6E,10Z,13Z,16Z,19Z)(8OH)) 1-(9Z,12Z-octadecadienoyl)-2-(8-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BT4 PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH)) 1-(9Z,12Z-octadecadienoyl)-2-(14-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BT5 PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,15E,19Z)(17OH)) 1-(9Z,12Z-octadecadienoyl)-2-(17-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BT6 PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,18E)(20OH)) 1-(9Z,12Z-octadecadienoyl)-2-(20-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BT7 PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,17E,19Z)(16OH)) 1-(9Z,12Z-octadecadienoyl)-2-(16-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BT8 PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,14E,16Z,19Z)(13OH)) 1-(9Z,12Z-octadecadienoyl)-2-(13-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BT9 PC(18:2(9Z,12Z)/22:6(4Z,7Z,11E,13Z,16Z,19Z)(10OH)) 1-(9Z,12Z-octadecadienoyl)-2-(10-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BUA PC(18:2(9Z,12Z)/22:6(4Z,7Z,9E,13Z,16Z,19Z)(11OH)) 1-(9Z,12Z-octadecadienoyl)-2-(11-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BUB PC(18:2(9Z,12Z)/22:6(4Z,8E,10Z,13Z,16Z,19Z)(7OH)) 1-(9Z,12Z-octadecadienoyl)-2-(7-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BUC PC(18:2(9Z,12Z)/22:6(5E,7Z,10Z,13Z,16Z,19Z)(4OH)) 1-(9Z,12Z-octadecadienoyl)-2-(4-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BVI PC(18:3(6Z,9Z,12Z)/2:0) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-acetyl-sn-glycero-3-phosphocholine C28H50NO8P 559.3274
LMISGP20019BWB PC(18:3(6Z,9Z,12Z)/4:0) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-butyryl-sn-glycero-3-phosphocholine C30H54NO8P 587.3587
LMISGP20019BWC PC(18:3(6Z,9Z,12Z)/4:1(3E)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-3E-butenoyl-sn-glycero-3-phosphocholine C30H52NO8P 585.3431
LMISGP20019BV9 PC(18:3(6Z,9Z,12Z)/4:0(4Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(4-oxobutyryl)-sn-glycero-3-phosphocholine C30H52NO9P 601.3380
LMISGP20019BWA PC(18:3(6Z,9Z,12Z)/4:0(4OH,4Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-succinyl-sn-glycero-3-phosphocholine C30H52NO10P 617.3329
LMISGP20019BWD PC(18:3(6Z,9Z,12Z)/5:0(5Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5-oxo-valeroyl)-sn-glycero-3-phosphocholine C31H54NO9P 615.3536
LMISGP20019BWE PC(18:3(6Z,9Z,12Z)/5:0(5OH,5Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-glutaroyl-sn-glycero-3-phosphocholine C31H54NO10P 631.3485
LMISGP20019BWF PC(18:3(6Z,9Z,12Z)/6:1(4E)(3Ke,6OH,6Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(3,6-dioxo-4E-hexenoyl)-sn-glycero-3-phosphocholine C32H52NO11P 657.3278
LMISGP20019BWG PC(18:3(6Z,9Z,12Z)/6:1(4E)(6Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(6-oxo-4E-hexenoyl)-sn-glycero-3-phosphocholine C32H54NO9P 627.3536
LMISGP20019BWH PC(18:3(6Z,9Z,12Z)/7:1(5E)(4Ke,7Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(4,7-dioxo-5E-heptenoyl)-sn-glycero-3-phosphocholine C33H54NO10P 655.3485
LMISGP20019BWI PC(18:3(6Z,9Z,12Z)/7:1(5E)(4Ke,7OH,7Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(4-keto-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphocholine C33H54NO11P 671.3435
LMISGP20019BWJ PC(18:3(6Z,9Z,12Z)/7:1(5E)(4OH,7Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphocholine C33H56NO10P 657.3642
LMISGP20019BWK PC(18:3(6Z,9Z,12Z)/7:1(5E)(4OH,7OH,7Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(4-hydroxy-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphocholine C33H56NO11P 673.3591
LMISGP20019BWL PC(18:3(6Z,9Z,12Z)/8:0(8Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(8-Oxo-octanoyl)-sn-glycero-3-phosphocholine C34H60NO9P 657.4006
LMISGP20019BWM PC(18:3(6Z,9Z,12Z)/8:0(8OH,8Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(8-Carboxy-heptanoyl)-sn-glycero-3-phosphocholine C34H60NO10P 673.3955
LMISGP20019BWN PC(18:3(6Z,9Z,12Z)/8:1(6E)(5Ke,8Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phosphocholine C34H56NO10P 669.3642
LMISGP20019BWO PC(18:3(6Z,9Z,12Z)/8:1(6E)(5Ke,8OH,8Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5-keto-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphocholine C34H56NO11P 685.3591
LMISGP20019BWP PC(18:3(6Z,9Z,12Z)/8:1(6E)(5OH,8Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phosphocholine C34H58NO10P 671.3798
LMISGP20019BWQ PC(18:3(6Z,9Z,12Z)/8:1(6E)(5OH,8OH,8Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5-hydroxy-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphocholine C34H58NO11P 687.3748
LMISGP20019BWR PC(18:3(6Z,9Z,12Z)/9:0(9Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9-oxo-nonanoyl)-sn-glycero-3-phosphocholine C35H62NO9P 671.4162
LMISGP20019BWS PC(18:3(6Z,9Z,12Z)/9:0(9OH,9Ke)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-azeloyl-sn-glycero-3-phosphocholine C35H62NO10P 687.4111