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4-aminobutanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM4359

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₅H₄₀N₈O₁₇P₃S

charge

-3

mass

849.14614

reference

chebi:57352

InChIKey

HHFBTTVZSVBPFP-CITAKDKDSA-K

InChI

InChI=1S/C25H43N8O17P3S/c1-25(2,20(37)23(38)29-7-5-15(34)28-8-9-54-16(35)4-3-6-26)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37H,3-11,26H2,1-2H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-3/t14-,18-,19-,20+,24-/m1/s1

SMILES

CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC[NH3+]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57352 chebi:57352	4-aminobutanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-azaniumylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} 4-aminobutanoyl-CoA trianion 4-aminobutanoyl-CoA(3-) 4-aminobutanoyl-coenzyme A(3-)
kegg.compound:C02801 keggC:C02801	4-Aminobutanoyl-CoA
seed.compound:cpd01810 seedM:cpd01810	4-Aminobutanoyl-CoA 4-aminobutanoyl-coA
CHEBI:15496 chebi:15496	4-aminobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 4-Aminobutanoyl-CoA 4-aminobutanoyl-coenzyme A 4-butyryl-CoA 4-butyryl-coenzyme A GABA-CoA GABA-coenzyme A gamma-aminobutanoyl-CoA gamma-aminobutanoyl-coenzyme A gamma-aminobutyryl-CoA gamma-aminobutyryl-coenzyme A omega-aminobutyryl-CoA omega-aminobutyryl-coenzyme A
lipidmaps:LMFA07050262 lipidmapsM:LMFA07050262	4-aminobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 4-aminobutanoyl-coenzyme A 4-butyryl-CoA 4-butyryl-coenzyme A GABA-CoA GABA-coenzyme A gamma-aminobutanoyl-CoA gamma-aminobutanoyl-coenzyme A gamma-aminobutyryl-CoA gamma-aminobutyryl-coenzyme A omega-aminobutyryl-CoA omega-aminobutyryl-coenzyme A
metacyc.compound:4-AMINOBUTANOYL-COA metacycM:4-AMINOBUTANOYL-COA	4-aminobutanoyl-coA
chebi:11962 chebi:1787 chebi:20319 keggC:M_C02801 seedM:M_cpd01810	secondary/obsolete/fantasy identifier