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CHEBI:28935 - (E)-hexadec-2-enoyl-CoA

ChEBI IDCHEBI:28935
ChEBI Name(E)-hexadec-2-enoyl-CoA
Stars
ASCII Name(E)-hexadec-2-enoyl-CoA
DefinitionA 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.
Secondary ChEBI IDsCHEBI:10728, CHEBI:27047
Last Modified2 February 2018
DownloadsMolfile
FormulaC37H64N7O17P3S
Net Charge0
Average Mass1003.940
Monoisotopic Mass1003.32922
SMILESCCCCCCCCCCCCC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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
InChIKeyJUPAQFRKPHPXLD-MSHHSVQMSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Roles:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
(E)-hexadec-2-enoyl-CoA (CHEBI:28935) has functional parent (E)-hexadec-2-enoic acid (CHEBI:37252)
(E)-hexadec-2-enoyl-CoA (CHEBI:28935) has role Escherichia coli metabolite (CHEBI:76971)
(E)-hexadec-2-enoyl-CoA (CHEBI:28935) has role mouse metabolite (CHEBI:75771)
(E)-hexadec-2-enoyl-CoA (CHEBI:28935) is a trans-2-enoyl-CoA (CHEBI:50998)
(E)-hexadec-2-enoyl-CoA (CHEBI:28935) is a hexadec-2-enoyl-CoA (CHEBI:52381)
(E)-hexadec-2-enoyl-CoA (CHEBI:28935) is conjugate acid of (E)-hexadec-2-enoyl-CoA(4−) (CHEBI:61526)
Incoming Relation(s)
(E)-hexadec-2-enoyl-CoA(4−) (CHEBI:61526) is conjugate base of (E)-hexadec-2-enoyl-CoA (CHEBI:28935)
IUPAC Name 
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}
Synonyms  Source
(2E)-Hexadecenoyl-CoAKEGG COMPOUND
(2E)-hexadecenoyl-coenzyme AChEBI
(E)-2-hexadecenoyl-CoAChEBI
(E)-2-hexadecenoyl-coenzyme AChEBI
(E)-hexadec-2-enoyl-coenzyme AChEBI
trans-2-hexadecenoyl-coenzyme AChEBI
Manual XrefsDatabases
C05272KEGG COMPOUND
Citations