**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

hexadecanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1106160 #reac in my sandbox 0 in MNXref (generic) 334 in models (compartimentalized) 163 formula C37H62N7O17P3S charge -4 mass 1001.914 reference chebi:57379 InChIKey MNBKLUUYKPBKDU-BBECNAHFSA-J InChI InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/t26-,30-,31-,32+,36-/m1/s1 SMILES [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:28](=[O:46])[S:65][CH2:21][CH2:20][N:39]=[C:27]([CH2:18][CH2:19][N:40]=[C:35]([C@@H:32]([C:37]([CH3:2])([CH3:3])[CH2:23][O:58][P:64]([OH:55])(=[O:56])[O:61][P:63]([OH:53])(=[O:54])[O:57][CH2:22][C@@H:26]1[C@@H:31]([O:60][P:62]([OH:50])([OH:51])=[O:52])[C@@H:30]([OH:47])[C@H:36]([n:44]2[cH:25][n:43][c:29]3[c:33]([NH2:38])[n:41][cH:24][n:42][c:34]32)[O:59]1)[OH:48])[OH:49])[OH:45]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources

Identifier	Description
CHEBI:57379 chebi:57379	hexadecanoyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(hexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate) palmitoyl-CoA(4-)
envipath:...0877aa11b9ae envipathM:...0877aa11b9ae	Hexadecanoyl-CoA
bigg.metabolite:pmtcoa biggM:pmtcoa	Palmitoyl-CoA (n-C16:0CoA)
vmhM:pmtcoa vmhmetabolite:pmtcoa	Palmitoyl-CoA (n-C16:0CoA) {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(hexadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy
lipidmaps:LMFA07050360 lipidmapsM:LMFA07050360	Palmitoyl-CoA CoA 16:0 Coenzyme A, S-hexadecanoate Hexadecanoyl-CoA Palmitoyl coenzyme A Palmityl-CoA S-Palmitoylcoenzyme A
sabiork.compound:1310 sabiorkM:1310 kegg.compound:C00154 keggC:C00154	Palmitoyl-CoA Hexadecanoyl-CoA
seed.compound:cpd00134 seedM:cpd00134	Palmitoyl-CoA Hexadecanoyl-CoA Palmitoyl-CoA (n-C16:0CoA) hexadecanoyl CoA palmitoyl CoA palmitoyl coenzyme A palmitoyl-CoA palmityl-CoA pmtcoa
hmdb:HMDB0001338	Palmityl-CoA CoA, Hexadecanoyl CoA, Palmitoyl CoA, Palmityl Hexadecanoyl CoA Hexadecanoyl-CoA Hexadecanoyl-coenzyme A Palmitoyl CoA Palmitoyl coenzyme A Palmityl CoA Palmityl coenzyme A Palmityl-coenzyme A S-Palmitoylcoenzyme A S-Palmityl coenzyme A S-Palmityl-CoA S-Palmityl-coenzyme A coenzyme A, Palmitoyl coenzyme A, S-Hexadecanoate coenzyme A, S-Hexadecanoic acid palmitoyl-coa {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(hexadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
SLM:000000383 slm:000000383	hexadecanoyl-CoA
reactome:R-ALL-200993 reactomeM:R-ALL-200993 reactome:R-ALL-390426 reactomeM:R-ALL-390426 reactome:R-ALL-5358339 reactomeM:R-ALL-5358339 reactome:R-ALL-77281 reactomeM:R-ALL-77281 CHEBI:15525 chebi:15525	palmitoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(hexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) Coenzyme A, S-hexadecanoate Hexadecanoyl-CoA Palmitoyl coenzyme A Palmitoyl-CoA S-Palmitoylcoenzyme A
metacyc.compound:PALMITYL-COA metacycM:PALMITYL-COA	palmitoyl-CoA PalCoA Palmitoyl-CoA (n-C16:0CoA) hexadecanoyl CoA palmitoyl CoA palmitoyl coenzyme A palmityl-CoA
hmdb:HMDB0059623 hmdb:HMDB01338 hmdb:HMDB59623 chebi:14397 chebi:14732 chebi:24543 chebi:7898 biggM:M_pmtcoa keggC:M_C00154 seedM:M_cpd00134	secondary/obsolete/fantasy identifier