CHEBI:61526 - (E)-hexadec-2-enoyl-CoA(4−)

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ChEBI Name (E)-hexadec-2-enoyl-CoA(4−)
ChEBI ID CHEBI:61526
ChEBI ASCII Name (E)-hexadec-2-enoyl-CoA(4-)
Definition A hexadecenoyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (E)-hexadec-2-enoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
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Formula C37H60N7O17P3S
Net Charge -4
Average Mass 999.898
Monoisotopic Mass 999.298
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)/p-4/b17-16+/t26-,30-,31-,32+,36-/m1/s1
InChIKey JUPAQFRKPHPXLD-MSHHSVQMSA-J
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
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (E)-hexadec-2-enoyl-CoA(4−) (CHEBI:61526) has role human metabolite (CHEBI:77746)
(E)-hexadec-2-enoyl-CoA(4−) (CHEBI:61526) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
(E)-hexadec-2-enoyl-CoA(4−) (CHEBI:61526) is a hexadecenoyl-CoA(4−) (CHEBI:139572)
(E)-hexadec-2-enoyl-CoA(4−) (CHEBI:61526) is conjugate base of (E)-hexadec-2-enoyl-CoA (CHEBI:28935)
Incoming (E)-hexadec-2-enoyl-CoA (CHEBI:28935) is conjugate acid of (E)-hexadec-2-enoyl-CoA(4−) (CHEBI:61526)
Synonyms Sources
(2E)-hexadecenoyl-CoA UniProt
(E)-C16:1 n-14-CoA ChEBI
(E)-hexadec-2-enoyl-CoA tetraanion ChEBI
(E)-hexadec-2-enoyl-coenzyme A tetraanion ChEBI
(E)-hexadec-2-enoyl-coenzyme A(4−) ChEBI
trans-2-hexadecenoyl-CoA(4−) SUBMITTER
trans-2-hexadecenoyl-coenzyme A tetraanion ChEBI
trans-2-hexadecenoyl-coenzyme A(4−) ChEBI
trans-C16:1 n-14-CoA ChEBI
trans-hexadec-2-enoyl-CoA(4−) SUBMITTER
Manual Xref Database
CPD0-2117 MetaCyc
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Last Modified
02 February 2018
General Comment
2011-05-31 Major species at pH 7.3.