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hexadecanoyl-CoA

PropertiesImage
MNX_IDMNXM1106160 Image of MNXM1106160
referencechebi:57379
formulaC37H62N7O17P3S
global charge-4
mol weight1001.924
InChIKeyMNBKLUUYKPBKDU-BBECNAHFSA-J
InChIInChI=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
SMILESCCCCCCCCCCCCCCCC(=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-]
MNX internals
InChI (mnx)InChI=1/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)/t26-,30-,31-,32+,36-/m1/s1 Image of MNXM1106160
SMILES (mnx)[CH:1]1([N:38]2[N:39]3=[N:41]([N:43]=[N:40]2)[N:44]([OH:47])=[O:46][O:45]=[N:42]3)[CH2:2][C@H:4]([CH2:32][CH2:25][C:31]([CH2:24][C:30]([CH2:23][CH2:17][C:19]([CH3:18])([CH3:20])[C@H:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][O:48][O:51]([O:49][O:50][PH:63][O:57][O:55][O:53][O:59][O:60][PH:62][O:61][O:54][O:56][O:58][PH:64][SH:65])=[O:52])=[CH2:11])=[CH2:15])[CH3:22])(=[CH2:26])[CH3:27])(=[CH2:28])[CH3:29])[C@@H:5]([CH2:33][C:36]([CH3:34])([CH3:35])=[CH2:37])[CH:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)323
in models (compartimentalized) 164
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-1131790
reactomeM:R-ALL-1131790
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-5690537
reactomeM:R-ALL-5690537
reactome:R-ALL-77281
reactomeM:R-ALL-77281
reactome:R-ALL-9683736
reactomeM:R-ALL-9683736
reactome:R-ALL-9766371
reactomeM:R-ALL-9766371
CHEBI:57379
chebi:57379
MNBKLUUYKPBKDU-BBECNAHFSA-J 		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
MNBKLUUYKPBKDU-BBECNAHFSA-N 		Hexadecanoyl-CoA

bigg.metabolite:pmtcoa
biggM:pmtcoa
MNBKLUUYKPBKDU-BBECNAHFSA-J 		Palmitoyl-CoA (n-C16:0CoA)

vmhM:pmtcoa
vmhM:pmtcoa
vmhmetabolite:pmtcoa
vmhmetabolite:pmtcoa
MNBKLUUYKPBKDU-BBECNAHFSA-J 		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
MNBKLUUYKPBKDU-BBECNAHFSA-N 		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
MNBKLUUYKPBKDU-BBECNAHFSA-N 		Palmitoyl-CoA
Hexadecanoyl-CoA

seed.compound:cpd00134
seedM:cpd00134
MNBKLUUYKPBKDU-BBECNAHFSA-J 		Palmitoyl-CoA
Hexadecanoyl-CoA
Palmitoyl-CoA (n-C16:0CoA)
hexadecanoyl CoA
palmitoyl CoA
palmitoyl coenzyme A
palmitoyl-CoA
palmityl-CoA
pmtcoa
hmdb:HMDB0001338
MNBKLUUYKPBKDU-BBECNAHFSA-J 		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
MNBKLUUYKPBKDU-BBECNAHFSA-J 		hexadecanoyl-CoA

CHEBI:15525
chebi:15525
MNBKLUUYKPBKDU-BBECNAHFSA-N 		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
MNBKLUUYKPBKDU-BBECNAHFSA-J 		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:24544
chebi:7898
biggM:M_pmtcoa
keggC:M_C00154
seedM:M_cpd00134
vmhM:M_pmtcoa 		secondary/obsolete/fantasy identifier