Structure Database (LMSD)

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LMSD: Lipid classification search results

Carbocyclic fatty acids [FA0114]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
LMFA07050214 3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxycyclohexa-1,5-diene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:3;O C28H42N7O18P3S 889.151999
LMFA07050215 3-hydroxydocosanoyl-CoA 3-hydroxydocosanoyl-CoA CoA 22:0;O C43H78N7O18P3S 1105.433699
LMFA07050216 3-hydroxyhexacosanoyl-CoA 3S-hydroxyhexacosanoyl-Co CoA 26:0;O C47H86N7O18P3S 1161.496299
LMFA07050217 3-Hydroxyhexdecanedioyl-CoA 16-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-14-hydroxy-16-oxohexadecanoic acid CoA 16:1;O3 C37H64N7O20P3S 1051.313979
LMFA07050218 3-hydroxyicosanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxyicosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 20:0;O C41H74N7O18P3S 1077.402399
LMFA07050219 3-hydroxyisoheptadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 17:0;O C38H68N7O18P3S 1035.355449
LMFA07050220 3-hydroxyisopentadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-13-methyltetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 15:0;O C36H64N7O18P3S 1007.324149
LMFA07050222 3-hydroxyisovaleryl-CoA 3-hydroxy-3-methyl-butanoyl-CoA CoA 5:0;O C26H44N7O18P3S 867.167649
LMFA07050223 3-hydroxyoctadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxyoctadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 18:0;O C39H70N7O18P3S 1049.371099
LMFA07050224 3-hydroxypimeloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:1;O3 C28H46N7O20P3S 925.173129
LMFA07050225 3-hydroxypristanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(3-hydroxy-2,6,10,14-tetramethylpentadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) CoA 19:0;O C40H72N7O18P3S 1063.386749
LMFA07050226 3-hydroxypropionyl-CoA 3-hydroxypropanoyl-CoA CoA 3:0;O C24H40N7O18P3S 839.136349
LMFA07050228 3-hydroxytetracosanoyl-CoA 3-hydroxytetracosanoyl-CoA CoA 24:0;O C45H82N7O18P3S 1133.464999
LMFA07050229 3-isopropenylpimeloyl-CoA 3-isopropenyl-7-carboxy-heptanoyl-CoA CoA 10:2;O2 C31H50N7O19P3S 949.209514
LMFA07050232 3-methylbut-2-enoyl-CoA 3-methyl-2-butenoyl-CoA CoA 5:1 C26H42N7O17P3S 849.157084
LMFA07050233 3-methylbut-3-enoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-3-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} CoA 5:1 C26H42N7O17P3S 849.157084
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
LMFA07050244 3-oxoisoheptadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(13-methyl-3-oxohexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 17:1;O C38H66N7O18P3S 1033.339799
LMFA07050245 3-oxoisooctadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(16-methyl-3-oxoheptadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 18:1;O C39H68N7O18P3S 1047.355449
LMFA07050246 3-oxoisopentadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(13-methyl-3-oxotetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 15:1;O C36H62N7O18P3S 1005.308499
LMFA07050248 3-oxooctadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 18:1;O C39H68N7O18P3S 1047.355449
LMFA07050249 3-Oxooctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 8:1;O C29H48N7O18P3S 907.198949
LMFA07050250 3-ketopalmitoyl-CoA 3-oxohexadecanoyl-CoA CoA 16:1;O C37H64N7O18P3S 1019.324149
LMFA07050251 3-oxopimeloyl-CoA 3-oxo-7-carboxy-heptanoyl-CoA CoA 7:2;O3 C28H44N7O20P3S 923.157479
LMFA07050253 3-oxopristanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2,6,10,14-tetramethyl-3-oxopentadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 19:1;O C40H70N7O18P3S 1061.371099
LMFA07050255 3-oxotetracosanoyl-CoA 3-oxotetracosanoyl-CoA CoA 24:1;O C45H80N7O18P3S 1131.449349
LMFA07050256 3-ketotetradecanoyl-CoA 3-oxotetradecanoyl-CoA CoA 14:1;O C35H60N7O18P3S 991.292849
LMFA07050257 3S-Hydroxytetradecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 14:0;O C35H62N7O18P3S 993.308499
LMFA07050258 3-thiaoctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(pentylsulfany)acetyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} C28H48N7O17P3S2 911.176106
LMFA07050259 4,8,12-trimethyltridecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(4,8,12-trimethyltridecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 16:0 C37H66N7O17P3S 1005.344884
LMFA07050260 4,8-dimethylnonanoyl-CoA 4,8-dimethylnonanoyl-CoA CoA 11:0 C32H56N7O17P3S 935.266634
LMFA07050261 4-acetamidobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C27H45N8O18P3S 894.178548
LMFA07050262 4-aminobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C25H43N8O17P3S 852.167983
LMFA07050263 4-carboxy-2-thioxobutanoyl-CoA 5'-O-[{[(4-{[3-({2-[(4-carboxy-2-thioxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) C26H40N7O19P3S2 911.103336
LMFA07050265 4-coumaroyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 9:5;O C30H42N7O18P3S 913.151999
LMFA07050268 5-hydroxyferuloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 10:5;O3 C31H44N7O20P3S 959.157479
LMFA07050269 5-hydroxypentanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 5:0;O C26H44N7O18P3S 867.167649
LMFA07050270 5-oxo-furan-2-acetyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(5-oxooxolan-2-yl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate} CoA 6:2;O2 C27H42N7O19P3S 893.146914
LMFA07050271 6-hydroxycyclohex-1-ene-1-carbonyl-CoA 6-hydroxycyclohex-1-ene-1-carbonyl-CoA CoA 7:2;O C28H44N7O18P3S 891.167649
LMFA07050274 6-oxocyclohex-1-ene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(6-oxocyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 7:3;O C28H42N7O18P3S 889.151999
LMFA07050275 6-Oxocyclohex-1-ene-1-carboxyl-CoA {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(6-oxocyclohex-1-en-1-yl)carbonylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid CoA 7:3;O C28H42N7O18P3S 889.151999
LMFA07050276 7-methyl-3-oxooct-6-enoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(7-methyl-3-oxooct-6-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} CoA 9:2;O C30H48N7O18P3S 919.198949
LMFA07050277 7-methyl-3-oxooctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(7-methyl-3-oxooctanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} CoA 9:1;O C30H50N7O18P3S 921.214599
LMFA07050278 8Z,11Z,14Z,17Z-tricosatetraenoyl-CoA {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid CoA 23:4 C44H72N7O17P3S 1095.391834