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

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ChEBI Name (E)-hexadec-2-enoyl-CoA
ChEBI ID CHEBI:28935
ChEBI ASCII Name (E)-hexadec-2-enoyl-CoA
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:27047, CHEBI:10728
Supplier Information
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Formulae C37H64N7O17P3S
C37H64N7O17P3S
Net Charge 0
Average Mass 1003.930
Monoisotopic Mass 1003.329
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
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
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562) See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): 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 ).
(via hexadec-2-enoyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(2E)-Hexadecenoyl-CoA KEGG COMPOUND
(2E)-hexadecenoyl-coenzyme A ChEBI
(E)-2-hexadecenoyl-CoA ChEBI
(E)-2-hexadecenoyl-coenzyme A ChEBI
(E)-hexadec-2-enoyl-coenzyme A ChEBI
trans-2-Hexadecenoyl-CoA KEGG COMPOUND
trans-2-hexadecenoyl-coenzyme A ChEBI
trans-Hexadec-2-enoyl-CoA KEGG COMPOUND
Manual Xref Database
C05272 KEGG COMPOUND
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Citations Waiting for Citations Types Sources
21502722 PubMed citation Europe PMC
3977322 PubMed citation Europe PMC
6654894 PubMed citation Europe PMC
Last Modified
02 February 2018