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tetradecanoyl-CoA

PropertiesImage
MNX_IDMNXM1104283 Image of MNXM1104283
referencechebi:57385
formulaC35H58N7O17P3S
global charge-4
mol weight973.87
InChIKeyDUAFKXOFBZQTQE-QSGBVPJFSA-J
InChIInChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/t24-,28-,29-,30+,34-/m1/s1
SMILESCCCCCCCCCCCCCC(=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/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1 Image of MNXM1104283
SMILES (mnx)[CH:1]1([N:38]2[N:39]3=[N:41]([O:43]=[N:40]2)[O: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])[CH:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][O:48][O:50](=[O:49])[O:51][O:52][O:53][O:54][O:55][O:56][O:57][O:58][O:59][PH:60][PH:61][PH:62][SH:63])=[CH2:11])=[CH2:15])[CH3:22])(=[CH2:26])[CH3:27])(=[CH2:28])[CH3:29])[C@@H:5]([CH2:33][N:36]([CH3:34])([CH3:35])=[NH:37])[CH:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)177
in models (compartimentalized) 76
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-184174
reactomeM:R-ALL-184174
reactome:R-ALL-77272
reactomeM:R-ALL-77272
CHEBI:57385
chebi:57385
DUAFKXOFBZQTQE-QSGBVPJFSA-J 		tetradecanoyl-CoA
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(tetradecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} diphosphate)
myristoyl-CoA tetraanioni
myristoyl-CoA(4-)
myristoyl-coenzyme tetraanion
tetradecanoyl-CoA tetraanion
tetradecanoyl-coenzyme A tetraanion

sabiork.compound:2457
sabiorkM:2457
DUAFKXOFBZQTQE-QSGBVPJFSA-N 		Myristoyl-CoA
Tetradecanoyl-CoA

seed.compound:cpd01695
seedM:cpd01695
DUAFKXOFBZQTQE-QSGBVPJFSA-J 		Myristoyl-CoA
Tetradecanoyl-CoA
Tetradecanoyl-CoA (n-C14:0CoA)
myristoyl-CoA
n-C14:0CoA
tdcoa
tetradecanoyl-CoA

bigg.metabolite:tdcoa
biggM:tdcoa
DUAFKXOFBZQTQE-QSGBVPJFSA-J 		Tetradecanoyl-CoA (n-C14:0CoA)

vmhM:tdcoa
vmhM:tdcoa
vmhmetabolite:tdcoa
vmhmetabolite:tdcoa
DUAFKXOFBZQTQE-QSGBVPJFSA-J 		Tetradecanoyl-CoA (n-C14:0CoA)
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetradecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphory

kegg.compound:C02593
keggC:C02593
DUAFKXOFBZQTQE-QSGBVPJFSA-N 		Tetradecanoyl-CoA
Myristoyl-CoA
hmdb:HMDB0001521
DUAFKXOFBZQTQE-QSGBVPJFSA-N 		Tetradecanoyl-CoA
Myristoyl-CoA
Myristoyl-coenzyme A
N-C14:0CoA
N-C14:0coenzyme A
S-Tetradecanoyl-coenzyme A
Tetradecanoyl CoA
Tetradecanoyl coenzyme A
Tetradecanoyl-coenzyme A
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetradecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetradecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

CHEBI:15532
chebi:15532
DUAFKXOFBZQTQE-QSGBVPJFSA-N 		myristoyl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(tetradecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Myristoyl-CoA
S-tetradecanoyl-coenzyme A
Tetradecanoyl-CoA
n-C14:0-CoA
n-C14:0-coenzyme A

lipidmaps:LMFA07050352
lipidmapsM:LMFA07050352
DUAFKXOFBZQTQE-QSGBVPJFSA-N 		myristoyl-CoA
CoA 14:0
S-tetradecanoyl-coenzyme A
Tetradecanoyl-CoA
n-C14:0-CoA
n-C14:0-coenzyme A

metacyc.compound:TETRADECANOYL-COA
metacycM:TETRADECANOYL-COA
DUAFKXOFBZQTQE-QSGBVPJFSA-J 		myristoyl-CoA
n-C14:0CoA
tetradecanoyl-CoA

SLM:000000439
slm:000000439
DUAFKXOFBZQTQE-QSGBVPJFSA-J 		tetradecanoyl-CoA

hmdb:HMDB0006517
hmdb:HMDB01521
hmdb:HMDB06517
chebi:14637
chebi:15218
chebi:26898
chebi:52969
chebi:9475
biggM:M_tdcoa
keggC:M_C02593
seedM:M_cpd01695
vmhM:M_tdcoa 		secondary/obsolete/fantasy identifier