OntologiesslmclassesCHEBI:28706   
JSON document
trans-hex-2-enoyl-CoAImported
http://purl.obolibrary.org/obo/CHEBI_28706

An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-hex-2-enoic acid.

Defined bychebi
Also appears ingo
Exact Synonyms
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hex-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
trans-Hex-2-enoyl-CoA
Related Synonyms
(2E)-Hexenoyl-CoA
(2E)-hexenoyl-coenzyme A
2E-hexenoyl-CoA
2E-hexenoyl-coenzyme A
trans-2,3-dehydrohexanoyl-CoA
trans-2,3-dehydrohexanoyl-coenzyme A
trans-2-hexenoyl-coenzyme A
trans-hex-2-enoyl-coenzyme A
class Information
charge

0

formula

C27H44N7O17P3S

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b7-6+/t16-,20-,21-,22+,26-/m1/s1

inchikey

OINXHIBNZUUIMR-IXUYQXAASA-N

in_subset

3_STAR

mass

863.66252

monoisotopicmass

863.17273

smiles

CCC\C=C\C(=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