OntologieschebiclassesCHEBI:15453   
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(S)-3-hydroxybutanoyl-CoA
http://purl.obolibrary.org/obo/CHEBI_15453
Also appears inslmgo
Exact Synonyms
(S)-3-Hydroxybutanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Related Synonyms
(3S)-3-hydroxybutanoyl-CoA
(S)-3-hydroxybutyroyl-CoA
(S)-3-Hydroxybutyryl-CoA
L(+)-3-hydroxybutyroyl-CoA
L(+)-beta-hydroxybutyroyl-CoA
L-3-hydroxybutanoyl-CoA
class Information
charge

0

formula

C25H42N7O18P3S

has_dbxref
has_obo_namespace

chebi_ontology

inchi

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

inchikey

QHHKKMYHDBRONY-VKBDFPRVSA-N

in_subset

3_STAR

mass

853.62464

monoisotopicmass

853.15199

smiles

C[C@H](O)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

class Relations