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

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CHEBI:15512 - L-3-aminobutanoyl-CoA

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ChEBI ID	CHEBI:15512
ChEBI Name	L-3-aminobutanoyl-CoA
Stars
ASCII Name	L-3-aminobutanoyl-CoA
Definition	A 3-aminobutyryl-CoA having that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of L-3-aminobutanoic acid.
Secondary ChEBI IDs	CHEBI:6168, CHEBI:13060, CHEBI:21209
Last Modified	7 November 2016
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C25H43N8O17P3S
Net Charge	0
Average Mass	852.647
Monoisotopic Mass	852.16797
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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChI	InChI=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)/t13-,14+,18+,19+,20-,24+/m0/s1
InChIKey	CCSDHAPTHIKZLY-VKBDFPRVSA-N

Roles Classification

acyl donor Any donor that can transfer acyl groups between molecular entities.

ChEBI Ontology

Outgoing Relation(s)
	L-3-aminobutanoyl-CoA (CHEBI:15512) is a 3-aminobutyryl-CoA (CHEBI:28317)
	L-3-aminobutanoyl-CoA (CHEBI:15512) is conjugate acid of L-3-aminobutanoyl-CoA(3−) (CHEBI:57366)
Incoming Relation(s)
	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	Source
L-3-Aminobutyryl-CoA	KEGG COMPOUND
S-(L-3-aminobutanoyl)-coenzyme A	ChEBI
L-3-aminobutyryl-coenzyme A	ChEBI
L-3-aminobutanoyl-coenzyme A	ChEBI

Manual Xrefs	Databases
C05231	KEGG COMPOUND