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(S)-3-hydroxyisobutyryl-CoA

Go to external page http://purl.obolibrary.org/obo/CHEBI_28259

A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxyisobutyric acid.

Term info

Label

(S)-3-hydroxyisobutyryl-CoA

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

3_STAR

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

charge

0

formula

C25H42N7O18P3S

has alternative id

CHEBI:18753, CHEBI:399

has obo namespace

chebi_ontology

has related synonym

(S)-3-hydroxy-2-methylpropanoyl-coenzyme A, (S)-3-hydroxy-2-methylpropionyl-coenzyme A, (S)-3-hydroxyisobutanoyl-CoA, (S)-3-hydroxyisobutyryl-coenzyme A, (S)-3-hydroxyisobutanoyl-coenzyme A

id

CHEBI:28259

inchi

InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19-,23+/m0/s1

inchikey

WWEOGFZEFHPUAM-UQCJFRAESA-N

mass

853.625

monoisotopicmass

853.15199

smiles

[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@H](CO)C)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O