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hexadecanoyl-CoA

MNXM740979 is deprecated and here replaced by MNXM1106160
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106160

	#reac
in my sandbox	0
in MNXref (generic)	296
in models (compartimentalized)	174

formula

C₃₇H₆₂N₇O₁₇P₃S

charge

-4

mass

1001.31577

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

CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

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)
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 coenzyme A Palmitoyl CoA Palmitoyl coenzyme A Palmitoyl-CoA Palmitoyl-coenzyme A Palmityl CoA Palmityl-coenzyme A S-Hexadecanoate S-Hexadecanoate CoA S-Hexadecanoate coenzyme A S-Hexadecanoic acid S-Palmitoylcoenzyme A [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-{[({3-[(2-{[2-(hexadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxyphosphonic acid coenzyme A, Palmitoyl {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({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
hmdb:HMDB0059623	hexadecanoyl-CoA CoA, Hexadecanoyl CoA, Palmitoyl CoA, Palmityl Hexadecanoyl CoA Hexadecanoyl-CoA Palmitoyl CoA Palmitoyl coenzyme A Palmityl CoA S-Palmitoylcoenzyme 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
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 Palmitoyl-CoA (n-C16:0CoA) hexadecanoyl CoA palmitoyl CoA palmitoyl coenzyme A palmityl-CoA
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