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L-3-aminobutanoyl-CoA (CHEBI:15512)

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ChEBI Name L-3-aminobutanoyl-CoA
ChEBI ID CHEBI:15512
ChEBI ASCII Name L-3-aminobutanoyl-CoA
Definition The S-(L-3-aminobutanoyl) derivative of coenzyme A.
Last Modified 15 April 2010
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:13060, CHEBI:6168, CHEBI:21209

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InChI
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/f/h28-29,39-40,42,44H,27H2
InChIKey
InChIKey=CCSDHAPTHIKZLY-SAMFMGAHDD
SMILES
C[C@H](N)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Formula Source
C25H43N8O17P3S KEGG COMPOUND
Charge 0
Mass 852.63992
ChEBI Ontology
Tree view
Outgoing L-3-aminobutanoyl-CoA (CHEBI:15512) is a 3-aminobutanoyl-CoA (CHEBI:28317)
L-3-aminobutanoyl-CoA (CHEBI:15512) is conjugate acid of L-3-aminobutanoyl-CoA(3−) (CHEBI:57366)
Incoming L-3-aminobutanoyl-CoA(3−) (CHEBI:57366) is conjugate base of L-3-aminobutanoyl-CoA (CHEBI:15512)
IUPAC Name
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}
Synonyms Sources
L-3-Aminobutyryl-CoA KEGG COMPOUND
L-3-aminobutyryl-CoA UniProt
Database Link Database
C05231 KEGG COMPOUND

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