OntologieschebiclassesCHEBI:52381   
JSON document
hexadec-2-enoyl-CoA
http://purl.obolibrary.org/obo/CHEBI_52381

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

Also appears inslmgo
Related Synonyms
2-hexadecenoyl-CoA
2-hexadecenoyl-coenzyme A
C16:1 n-14 CoA
hexadec-2-enoyl-coenzyme A
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)/t26-,30-,31-,32+,36-/m1/s1

inchikey

JUPAQFRKPHPXLD-BBECNAHFSA-N

in_subset

3_STAR

mass

1003.92700

monoisotopicmass

1003.32923

smiles

[H]C(CCCCCCCCCCCCC)=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