Structure Database (LMSD)

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LMSD: Lipid classification search results

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Branched fatty acids [FA0102]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
LMFA07050376 trans,trans-deca-2,4-dienoyl-CoA 2E,4E-decadienoyl-CoA CoA 10:2 C31H50N7O17P3S 917.219674
LMFA07050377 trans,trans-octa-2,4-dienoyl-CoA 2E,4E-octadienoyl-CoA CoA 8:2 C29H46N7O17P3S 889.188374
LMFA07050378 Trans-2,3-dehydrododecanoyl-CoA {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-dodec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid CoA 12:1 C33H56N7O17P3S 947.266624
LMFA07050379 trans-2,3-didehydroadipoyl-CoA 6-carboxy-2E-hexenoyl-CoA CoA 6:2;O2 C27H42N7O19P3S 893.146904
LMFA07050380 trans-2-Enoyl-OPC4-CoA CoA 14:4;O C35H54N7O18P3S 985.245889
LMFA07050381 trans-2-Enoyl-OPC6-CoA CoA 16:4;O C37H58N7O18P3S 1013.277189
LMFA07050382 trans-2-Enoyl-OPC8-CoA CoA 18:4;O C39H62N7O18P3S 1041.308490
LMFA07050383 trans-2-hexacosenoyl-CoA (2E)-hexacos-2-enoyl-coenzyme A;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-hexacos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} CoA 26:1 C47H84N7O17P3S 1143.485725
LMFA07050385 trans-2-octadecenoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-octadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} CoA 18:1 C39H68N7O17P3S 1031.360525
LMFA07050386 trans-3-Decenoyl-CoA {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(3E)-dec-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid CoA 10:1 C31H52N7O17P3S 919.235324
LMFA07050387 trans-3-Hexenoyl-CoA {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(3E)-hex-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid CoA 6:1 C27H44N7O17P3S 863.172724
LMFA07050388 trans-3-methylglutaconyl-CoA (E)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-5-oxopent-3-enoic acid CoA 6:2;O2 C27H42N7O19P3S 893.146904
LMFA07050389 trans-4-carboxybut-2-enoyl-CoA 4-carboxy-2E-butenoyl-CoA CoA 5:2;O2 C26H40N7O19P3S 879.131254
LMFA07050391 trans-dec-2-enoyl-CoA 3'-phosphoadenosine 5'-[3-(4-{[3-({2-[(2E)-dec-2-noylsulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate] CoA 10:1 C31H52N7O17P3S 919.235324
LMFA07050392 trans-feruloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 10:5;O2 C31H44N7O19P3S 943.162554
LMFA07050393 trans-hex-2-enoyl-CoA 2E-hexenoyl-CoA CoA 6:1 C27H44N7O17P3S 863.172724
LMFA07050394 trans-oct-2-enoyl-CoA 2E-octenoyl-CoA CoA 8:1 C29H48N7O17P3S 891.204024
LMFA07050395 trans-tetradec-11-enoyl-CoA 11E-tetradecenoyl-CoA CoA 14:1 C35H60N7O17P3S 975.297925
LMFA07050396 trans-tetradec-2-enoyl-CoA 2E-tetradecenoyl-CoA CoA 14:1 C35H60N7O17P3S 975.297925
LMFA07050397 Tridecanoyl-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-(tridecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid CoA 13:0 C34H60N7O17P3S 963.297925
LMFA07050398 Undecanoyl-CoA Undecanoyl-CoA CoA 11:0 C32H56N7O17P3S 935.266624
LMFA07050399 Valproyl-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-[(2-propylpentanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid CoA 8:0 C29H50N7O17P3S 893.219674
LMFA07050400 vinylacetyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(but-3-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) CoA 4:1 C25H40N7O17P3S 835.141424
LMFA07010693 (+/-)-Ethyl 2-hydroxy-2-methylbutyrate ethyl 2-hydroxy-2-methylbutanoate SFE 7:0;O C7H14O3 146.094295
LMFA07010694 (+/-)-Ethyl 2-hydroxy-3-methylvalerate ethyl 2-hydroxy-3-methylpentanoate SFE 8:0;O C8H16O3 160.109945
LMFA07010696 (+/-)-Isobutyl 3-methylthiobutyrate 2-methylpropyl 3-(methylsulfanyl)butanoate C9H18O2S 190.102751
LMFA07010699 (2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate (2E,8Z)-deca-2,8-dien-4,6-diyn-1-yl 3-methylbutanoate WE 15:6 C15H18O2 230.130680
LMFA07010705 (Z)-8-Decene-4,6-diyn-1-yl 3-methylbutanoate (8Z)-dec-8-en-4,6-diyn-1-yl 3-methylbutanoate WE 15:5 C15H20O2 232.146330
LMFA07010717 2-Hexenyl isovalerate (2E)-hex-2-en-1-yl 3-methylbutanoate WE 11:1 C11H20O2 184.146330
LMFA07010721 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid C20H38O7S 422.233826
LMFA07010722 2-Methylallyl butyrate 2-methylprop-2-en-1-yl butanoate SFE 8:1 C8H14O2 142.099380
LMFA07010723 2-Methylbutyl 2-methylbutanoate 2-methylbutyl 2-methylbutanoate WE 10:0 C10H20O2 172.146330
LMFA07010724 2-Methylbutyl 3-methyl-2-butenoate 2-methylbutyl 3-methylbut-2-enoate WE 10:1 C10H18O2 170.130680
LMFA07010725 2-Methylbutyl 3-methylbutanoate 2-methylbutyl 3-methylbutanoate WE 10:0 C10H20O2 172.146330
LMFA07010726 2-Methylpropyl (2E)-butenoate 2-methylpropyl (2Z)-but-2-enoate WE 8:1 C8H14O2 142.099380
LMFA07010727 2-Methylpropyl 3-methylbutanoate 2-methylpropyl 3-methylbutanoate WE 9:0 C9H18O2 158.130680
LMFA07010728 2-Methylpropyl butanoate 2-methylpropyl butanoate WE 8:0 C8H16O2 144.115030
LMFA07010729 2-Methylpropyl hexanoate 2-methylpropyl hexanoate WE 10:0 C10H20O2 172.146330
LMFA07010741 2-Propenyl 2-ethylbutanoate prop-2-en-1-yl 2-ethylbutanoate WE 9:1 C9H16O2 156.115030
LMFA07010742 2-Propenyl 3-methylbutanoate prop-2-en-1-yl 3-methylbutanoate WE 8:1 C8H14O2 142.099380
LMFA07010752 3-Hexenyl 2-methylbutyrate hex-3-en-1-yl 2-methylbutanoate WE 11:1 C11H20O2 184.146330
LMFA07010757 3-Methylbutyl 2-methylbutanoate 3-methylbutyl 2-methylbutanoate WE 10:0 C10H20O2 172.146330
LMFA07010758 3-Methylbutyl decanoate 3-methylbutyl decanoate WE 15:0 C15H30O2 242.224581
LMFA07010759 3-Methylbutyl dodecanoate 3-methylbutyl dodecanoate WE 17:0 C17H34O2 270.255881
LMFA07010760 3-Methylbutyl hexanoate 3-methylbutyl hexanoate WE 11:0 C11H22O2 186.161980
LMFA07010762 3-Methylbutyl pentanoate 3-methylbutyl pentanoate WE 10:0 C10H20O2 172.146330
LMFA07010766 4,6-Decadiyn-1-ol isovalerate deca-4,6-diyn-1-yl 3-methylbutanoate WE 15:4 C15H22O2 234.161980
LMFA07010779 Allyl tiglate prop-2-en-1-yl (2Z)-2-methylbut-2-enoate WE 8:2 C8H12O2 140.083730
LMFA07010804 cis-3-Hexenyl 2-methylbutanoate (3Z)-hex-3-en-1-yl 2-methylbutanoate WE 11:1 C11H20O2 184.146330
LMFA07010808 cis-3-Hexenyl tiglate (3Z)-hex-3-en-1-yl (2E)-2-methylbut-2-enoate WE 11:2 C11H18O2 182.130680