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(3S)-3-aminobutanoyl-CoA

MNXM4025 is deprecated and here replaced by MNXM734854
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734854 Image of MNXM734854
referencechebi:57366
formulaC25H40N8O17P3S
global charge-3
mol weight849.623
InChIKeyCCSDHAPTHIKZLY-VKBDFPRVSA-K
InChIInChI=1S/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-3/t13-,14+,18+,19+,20-,24+/m0/s1
SMILESC[C@H]([NH3+])CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]
MNX internals
InChI (mnx)InChI=1/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t13-,14+,18+,19+,20-,24+/m0/s1 Image of MNXM734854
SMILES (mnx)[CH3:1][C@@H:13]([CH2:8][C:16](=[O:35])[S:54][CH2:7][CH2:6][N:28]=[C:15]([CH2:4][CH2:5][N:29]=[C:23]([C@@H:20]([C:25]([CH3:2])([CH3:3])[CH2:10][O:47][P:53]([OH:44])(=[O:45])[O:50][P:52]([OH:42])(=[O:43])[O:46][CH2:9][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:12]=[N:32][C:17]3=[C:21]([NH2:27])[N:30]=[CH:11][N:31]=[C:22]32)[O:48]1)[OH:37])[OH:38])[OH:34])[NH2:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57366
chebi:57366
CCSDHAPTHIKZLY-VKBDFPRVSA-K 		(3S)-3-aminobutanoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(L-3-azaniumylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
L-3-aminobutanoyl-CoA trianion
L-3-aminobutanoyl-CoA(3-)
L-3-aminobutanoyl-coenzyme A(3-)

metacyc.compound:CPD-672
metacycM:CPD-672
CCSDHAPTHIKZLY-VKBDFPRVSA-K 		(S)-3-aminobutanoyl-CoA
L-3-aminobutanoyl-CoA
L-3-aminobutyryl-CoA

seed.compound:cpd03044
seedM:cpd03044
CCSDHAPTHIKZLY-RMNRSTNRSA-K 		3-Aminobutanoyl-CoA
(S)-3-aminobutanoyl-CoA
3-Aminobutyryl-CoA
3-aminobutyryl-CoA
CPD-19747
L-3-aminobutanoyl-CoA
L-3-aminobutyryl-CoA

kegg.compound:C05117
keggC:C05117
CCSDHAPTHIKZLY-RMNRSTNRSA-N 		3-Aminobutanoyl-CoA
3-Aminobutyryl-CoA

CHEBI:133901
chebi:133901
CCSDHAPTHIKZLY-RMNRSTNRSA-K 		3-aminobutanoyl-CoA
3-aminobutanoyl-coenzyme A(3-)
3-aminobutyryl-CoA(3-)
3-aminobutyryl-coenzyme A(3-)

metacyc.compound:CPD-19747
metacycM:CPD-19747
CCSDHAPTHIKZLY-RMNRSTNRSA-K 		3-aminobutanoyl-CoA
3-aminobutyryl-CoA

CHEBI:28317
chebi:28317
CCSDHAPTHIKZLY-RMNRSTNRSA-N 		3-aminobutyryl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-Aminobutanoyl-CoA
3-aminobutanoyl-coenzyme A
3-aminobutyryl-coenzyme A

lipidmaps:LMFA07050204
lipidmapsM:LMFA07050204
CCSDHAPTHIKZLY-RMNRSTNRSA-N 		3-aminobutyryl-CoA
3-aminobutanoyl-CoA
3-aminobutanoyl-coenzyme A
3-aminobutyryl-CoA
3-aminobutyryl-coenzyme A

seed.compound:cpd03104
seedM:cpd03104
CCSDHAPTHIKZLY-VKBDFPRVSA-K 		L-3-Aminobutyryl-CoA

kegg.compound:C05231
keggC:C05231
CCSDHAPTHIKZLY-VKBDFPRVSA-N 		L-3-Aminobutyryl-CoA
L-3-Aminobutanoyl-CoA

vmhM:3abutcoa
vmhmetabolite:3abutcoa
CCSDHAPTHIKZLY-VKBDFPRVSA-J 		L-3-Aminobutyryl-CoA
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(3-aminobutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy

CHEBI:15512
chebi:15512
CCSDHAPTHIKZLY-VKBDFPRVSA-N 		L-3-aminobutanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(L-3-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
L-3-Aminobutyryl-CoA
L-3-aminobutanoyl-coenzyme A
L-3-aminobutyryl-coenzyme A
S-(L-3-aminobutanoyl)-coenzyme A

lipidmaps:LMFA07050338
lipidmapsM:LMFA07050338
CCSDHAPTHIKZLY-VKBDFPRVSA-N 		L-3-aminobutanoyl-CoA
3S-aminobutanoyl-CoA
L-3-aminobutanoyl-coenzyme A
L-3-aminobutyryl-coenzyme A
S-(L-3-aminobutanoyl)-coenzyme A

chebi:13060
chebi:1453
chebi:19964
chebi:21209
chebi:6168
keggC:M_C05117
keggC:M_C05231
seedM:M_cpd03044
seedM:M_cpd03104
vmhM:M_3abutcoa 		secondary/obsolete/fantasy identifier