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dodecanoyl-CoA

Properties

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Occurences in reactions

MNX_ID

MNXM1104435

	#reac
in my sandbox	0
in MNXref (generic)	83
in models (compartimentalized)	68

formula

C₃₃H₅₄N₇O₁₇P₃S

charge

-4

mass

945.25317

reference

chebi:57375

InChIKey

YMCXGHLSVALICC-GMHMEAMDSA-J

InChI

InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/t22-,26-,27-,28+,32-/m1/s1

SMILES

CCCCCCCCCCCC(=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:57375 chebi:57375	dodecanoyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(dodecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate) dodecanoyl-CoA(4-) dodecanoyl-coenzyme A(4-) lauroyl-CoA tetraanion lauroyl-CoA(4-) lauroyl-coenzyme A(4-)
bigg.metabolite:ddcacoa biggM:ddcacoa	Dodecanoyl-CoA (n-C12:0CoA)
hmdb:HMDB0003571	Lauroyl-CoA C12:0-CoA Dodecanoyl-CoA Dodecanoyl-coenzyme A Lauroyl coenzyme A Lauroyl-coenzyme A coenzyme A, S-Dodecanoate coenzyme A, S-Dodecanoic acid lauroyl-coa {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(dodecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
lipidmaps:LMFA07050340 lipidmapsM:LMFA07050340	Lauroyl-CoA CoA 12:0 Dodecanoyl-CoA
seed.compound:cpd01260 seedM:cpd01260	Lauroyl-CoA Dodecanoyl-CoA Dodecanoyl-CoA (n-C12:0CoA) Lauroyl coenzyme A ddcoa dodecanoyl-CoA dodecanoyl-CoA (n-C12:0CoA) lauroyl coenzyme A lauroyl-CoA
sabiork.compound:2322 sabiorkM:2322 kegg.compound:C01832 keggC:C01832	Lauroyl-CoA Dodecanoyl-CoA Lauroyl coenzyme A
SLM:000000649 slm:000000649	dodecanoyl-CoA
reactome:R-ALL-2534041 reactomeM:R-ALL-2534041 reactome:R-ALL-77261 reactomeM:R-ALL-77261 CHEBI:15521 chebi:15521	lauroyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(dodecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) C12:0-CoA Dodecanoyl-CoA Lauroyl coenzyme A Lauroyl-CoA Lauroyl-coenzyme A coenzyme A, S-dodecanoate dodecanoyl-coenzyme A
metacyc.compound:LAUROYLCOA-CPD metacycM:LAUROYLCOA-CPD	lauroyl-CoA dodecanoyl-CoA dodecanoyl-CoA (n-C12:0CoA) lauroyl coenzyme A
hmdb:HMDB03571 chebi:14188 chebi:14501 chebi:25014 chebi:41874 chebi:6392 biggM:M_ddcacoa keggC:M_C01832 seedM:M_cpd01260	secondary/obsolete/fantasy identifier