Structure Database (LMSD)

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LMSD: Lipid classification search results

Oxo fatty acids [FA0106]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
LMFA01050490 3-deoxy-D-glycero-hexo-2,5-diulosonic acid (4S)-4,6-dihydroxy-2,5-dioxohexanoic acid;3-deoxy-D-glycero-hexo-2,5-diulosonic acid FA 6:2;O4 C6H8O6 176.032090
LMFA01050501 Acetohydroxybutyrate 2-ethyl-2-hydroxy-3-oxo-butanoic acid FA 6:1;O2 C6H10O4 146.057910
LMFA01050528 xi-3-Hydroxy-2-oxobutanoic acid 3-hydroxy-2-oxobutanoic acid FA 4:1;O2 C4H6O4 118.026610
LMFA01060203 myriocin (2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid C21H39NO6 401.277739
LMFA01031015 mediomycin A (2E,4E,6E,10E,13S,14S,15R,16E,18E,20E,22E,24E,26E,33R,35S,36E,39S,41R,43S,44E,47R,49S,50E,53R,55S)-58-amino-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-(sulfooxy)octapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid C62H97NO18S 1175.642641
LMFA01031016 mediomycin B (2E,4E,6E,10E,13S,14S,15R,16E,18E,20E,22E,24E,26E,33R,35S,36E,39S,41R,43S,44E,47R,49S,50E,53R,55S)-58-amino-13,15,29,33,35,39,41,43,47,49,53,55-dodecahydroxy-2,12,14,30-tetramethyl-31-oxooctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid C62H97NO15 1095.685824
LMFA08020166 asukamycin (2E,4E,6E)-7-cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide C31H34N2O7 546.236603
LMFA08020172 EI-1511-3 (2E,4E)-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-7-methylocta-2,4-dienamide C27H30N2O7 494.205303
LMFA08020173 EI-1511-5 (2E,4E,6E)-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methyldeca-2,4,6-trienamide C29H32N2O7 520.220953
LMFA08020174 EI-1625-2 (2E)-N-[(1S,5R,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-4-methyloct-2-enamide C27H32N2O7 496.220953
LMFA08020185 manumycin (2E,4E,6R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-7-oxo-hepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyl-deca-2,4-dienamide C31H38N2O7 550.267903
LMFA08020196 N-methyl-2-oxoglutaramic acid 5-(methylamino)-2,5-dioxopentanoic acid NA 6:2;O3 C6H9NO4 159.053159
LMFA08020204 TMC-1A (2E)-N-[(3S,4R)-3,4-dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-6-oxocyclohex-1-en-1-yl]-2,4-dimethyloct-2-enamide C28H36N2O7 512.252253
LMFA08020205 TMC-1C (2E,4E)-N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohex-1-en-1-yl]-4,6-dimethyldeca-2,4-dienamide C30H38N2O7 538.267903
LMFA08020206 TMC-1D (2E)-N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohexen-1-yl]-4,6-dimethyldec-2-enamide C30H40N2O7 540.283553
LMFA08010016 acetoacetamide 3-oxobutanamide C4H7NO2 101.047679
LMFA08010024 Sakacin P tert-butyl N-(1-carbamoyl-1-oxopropan-2-yl)carbamate C9H16N2O4 216.111008
LMFA07070047 6-Keto-decanoylcarnitine 3-[(6-oxodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate CAR 10:1;O C17H31NO5 329.220224
LMFA07050092 (11Z)-3-oxoicosa-11-enoyl-CoA 3-oxo-11Z-eicosenoyl-CoA CoA 20:2;O C41H70N7O18P3S 1073.371099
LMFA07050094 (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA 3-oxo-11Z,14Z-eicosadienoyl-CoA CoA 20:3;O C41H68N7O18P3S 1071.355449
LMFA07050095 (11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA 3-oxo-11Z,14Z,17Z-eicosatrienoyl-CoA CoA 20:4;O C41H66N7O18P3S 1069.339799
LMFA07050096 (13Z)-3-oxodocosenoyl-CoA 3-oxo-13Z-docosenoyl-CoA CoA 22:2;O C43H74N7O18P3S 1101.402399
LMFA07050097 (15Z)-3-oxotetracosenoyl-CoA 3-oxo-15Z-tetracosenoyl-CoA CoA 24:2;O C45H78N7O18P3S 1129.433699
LMFA07050114 (3R)-3-isopropenyl-6-oxoheptanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3R)-6-oxo-3-(prop-1-en-2-yl)heptanoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} CoA 10:2;O C31H50N7O18P3S 933.214599
LMFA07050118 (3S)-3-isopropenyl-6-oxoheptanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3S)-6-oxo-3-(prop-1-en-2-yl)heptanoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} CoA 10:2;O C31H50N7O18P3S 933.214599
LMFA07050126 (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA 6Z,9Z,12Z,15Z,18Z,21Z-3-oxotetracosahexaenoyl-CoA CoA 24:7;O C45H68N7O18P3S 1119.355449
LMFA07050128 (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(7Z,10Z,13Z,16Z)-3-oxodocosa-7,10,13,16,19-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 22:5;O C43H68N7O18P3S 1095.355449
LMFA07050130 (7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-CoA 7Z,10Z,13Z,16Z,19Z-3-oxodocosapentaenoyl-CoA CoA 22:6;O C43H66N7O18P3S 1093.339799
LMFA07050132 (8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 20:4;O C41H66N7O18P3S 1069.339799
LMFA07050133 (8Z,11Z,14Z,17Z)-3-oxoicosatetraenoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z,14Z)-3-oxoicosa-8,11,14,17-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 20:5;O C41H64N7O18P3S 1067.324149
LMFA07050136 (9Z,12Z)-3-oxolinoleoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z)-3-oxooctadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} CoA 18:3;O C39H64N7O18P3S 1043.324149
LMFA07050137 (9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z,15Z)-3-oxoicosa-9,12,15-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} CoA 20:4;O C41H66N7O18P3S 1069.339799
LMFA07050138 (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z,15Z,18Z)-3-oxotetracosa-7,10,13,16,19-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 24:5;O C45H72N7O18P3S 1123.386749
LMFA07050140 (9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z,15Z,18Z,21Z)-3-oxotetracosa-7,10,13,16,19,21-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 24:6;O C45H70N7O18P3S 1121.371099
LMFA07050166 [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA CoA 10:3;O C31H48N7O18P3S 931.198949
LMFA07050174 2-amino-5-oxocyclohex-1-enecarbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-amino-5-oxocyclohex-1-enecarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C28H43N8O18P3S 904.162898
LMFA07050179 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-6-oxocyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:2;O2 C28H44N7O19P3S 907.162564
LMFA07050189 2-Methylacetoacetyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} CoA 5:1;O C26H42N7O18P3S 865.151999
LMFA07050193 2-oxocyclohexane-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxocyclohexane-1-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 7:2;O C28H44N7O18P3S 891.167649
LMFA07050194 2-oxoglutaryl-CoA 5'-O-[{[(4-{[3-({2-[(4-carboxy-2-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) CoA 5:2;O3 C26H40N7O20P3S 895.126179
LMFA07050199 3,5,7-trioxododecanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(3,5,7-trioxododecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) CoA 12:3;O3 C33H52N7O20P3S 991.220079
LMFA07050200 3,8-dioxooct-5-enoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3,8-dioxooct-5-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 8:3;O2 C29H44N7O19P3S 919.162564
LMFA07050210 3-hydroxy-5-oxohexanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-5-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 6:1;O2 C27H44N7O19P3S 895.162564
LMFA07050236 3-oxo-8-carboxy-5-octenoyl-CoA 3-oxo-5,6-dehydrosuberyl-CoA CoA 8:3;O3 C29H44N7O20P3S 935.157479
LMFA07050237 3-oxoadipyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-3-oxopentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 6:2;O3 C27H42N7O20P3S 909.141829
LMFA07050239 3-oxodecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 10:1;O C31H52N7O18P3S 935.230249
LMFA07050240 3-ketodocosanoyl-CoA 3-oxodocosanoyl-CoA CoA 22:1;O C43H76N7O18P3S 1103.418049
LMFA07050241 3-ketocerotoyl-CoA 3-oxohexacosanoyl-CoA CoA 26:1;O C47H84N7O18P3S 1159.480649
LMFA07050242 3-Ketohexanoyl-CoA 3-Oxohexanoyl-CoA CoA 6:1;O C27H44N7O18P3S 879.167649
LMFA07050243 3-ketoeicosanoyl-CoA 3-oxoeicosanoyl-CoA CoA 20:1;O C41H72N7O18P3S 1075.386749