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4-hydroxybutyryl-CoA

Go to external page http://purl.obolibrary.org/obo/CHEBI_28522

An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-hydroxybutyric acid.

Term info

Label

4-hydroxybutyryl-CoA

Synonyms
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]dihydrogen diphosphate}
  • 4-Hydroxybutyryl-CoA
  • 4-hydroxybutanoyl-coenzyme A
database cross reference
Subsets

3_STAR

IUPAC NAME
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]dihydrogen diphosphate} [ IUPAC ]

IUPAC NAME
4-hydroxybutanoyl-coenzyme A [ IUPAC ]

charge

0

formula

C25H42N7O18P3S

has alternative id

CHEBI:1861, CHEBI:20403

has obo namespace

chebi_ontology

has related synonym

4-hydroxybutanoyl-coenzyme A, gamma-hydroxybutanoyl-CoA, gamma-hydroxybutyryl-CoA, 4-hydroxybutyryl-coenzyme A, 4-Hydroxybutanoyl-CoA, 4-hydroxybutanoyl-CoA, gamma-hydroxybutyryl-coenzyme A

id

CHEBI:28522

inchi

InChI=1S/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-54-16(35)4-3-8-33)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,33,36-37H,3-11H2,1-2H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1

inchikey

BAMBWCGEVIAQBF-CITAKDKDSA-N

mass

853.62464

monoisotopicmass

853.15199

smiles

CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCO