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4-aminobutanoyl-CoA

PropertiesImage
MNX_IDMNXM4359 Image of MNXM4359
referencechebi:57352
formulaC25H40N8O17P3S
global charge-3
mol weight849.623
InChIKeyHHFBTTVZSVBPFP-CITAKDKDSA-K
InChIInChI=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
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC[NH3+]
MNX internals
InChI (mnx)InChI=1/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)/t14-,18-,19-,20+,24-/m1/s1 Image of MNXM4359
SMILES (mnx)[CH3:1][C:25]([CH3:2])([CH2:11][O:47][P:53]([OH:44])(=[O:45])[O:50][P:52]([OH:42])(=[O:43])[O:46][CH2:10][C@@H:14]1[C@@H:19]([O:49][P:51]([OH:39])([OH:40])=[O:41])[C@@H:18]([OH:36])[C@H:24]([N:33]2[CH:13]=[N:32][C:17]3=[C:21]([NH2:27])[N:30]=[CH:12][N:31]=[C:22]32)[O:48]1)[C@H:20]([C:23](=[N:29][CH2:7][CH2:5][C:15](=[N:28][CH2:8][CH2:9][S:54][C:16]([CH2:4][CH2:3][CH2:6][NH2:26])=[O:35])[OH:34])[OH:38])[OH:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57352
chebi:57352
HHFBTTVZSVBPFP-CITAKDKDSA-K 		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
HHFBTTVZSVBPFP-CITAKDKDSA-N 		4-Aminobutanoyl-CoA

seed.compound:cpd01810
seedM:cpd01810
HHFBTTVZSVBPFP-CITAKDKDSA-K 		4-Aminobutanoyl-CoA
4-aminobutanoyl-coA

CHEBI:15496
chebi:15496
HHFBTTVZSVBPFP-CITAKDKDSA-N 		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
HHFBTTVZSVBPFP-CITAKDKDSA-N 		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
HHFBTTVZSVBPFP-CITAKDKDSA-K 		4-aminobutanoyl-coA

chebi:11962
chebi:1787
chebi:20319
keggC:M_C02801
seedM:M_cpd01810 		secondary/obsolete/fantasy identifier