OntologieschebiclassesCHEBI:85886   
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3-dehydrocarnityl CoA
http://purl.obolibrary.org/obo/CHEBI_85886

An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-dehydrocarnitine.

Also appears inslmgo
Related Synonyms
3-dehydrocarnityl coenzyme A
class Information
charge

+1

formula

C28H48N8O18P3S

has_dbxref

PMID:19406895

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C28H47N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-15,17,21-23,27,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/p+1/t17-,21-,22-,23+,27-/m1/s1

inchikey

QNOIWONXQXNHSB-SVHODSNWSA-O

in_subset

3_STAR

mass

909.70900

monoisotopicmass

909.20147

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)CC(=O)C[N+](C)(C)C

class Relations