OntologiesslmclassesCHEBI:28935   
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(E)-hexadec-2-enoyl-CoAImported
http://purl.obolibrary.org/obo/CHEBI_28935

A hexadec-2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-hexadec-2-enoic acid.

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

0

formula

C37H64N7O17P3S

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b17-16+/t26-,30-,31-,32+,36-/m1/s1

inchikey

JUPAQFRKPHPXLD-MSHHSVQMSA-N

in_subset

3_STAR

mass

1003.930

monoisotopicmass

1003.32923

smiles

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

class Relations