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

ChEBI IDCHEBI:61526
ChEBI Name(E)-hexadec-2-enoyl-CoA(4−)
Stars
ASCII Name(E)-hexadec-2-enoyl-CoA(4-)
DefinitionA 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.
Last Modified2 February 2018
SubmitterEugeni Belda
DownloadsMolfile
FormulaC37H60N7O17P3S
Net Charge-4
Average Mass999.908
Monoisotopic Mass999.30012
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)/p-4/b17-16+/t26-,30-,31-,32+,36-/m1/s1
InChIKeyJUPAQFRKPHPXLD-MSHHSVQMSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(E)-hexadec-2-enoyl-CoA (CHEBI:28935) is conjugate acid of (E)-hexadec-2-enoyl-CoA(4−) (CHEBI:61526)
Synonyms  Source
(E)-C16:1 n-14-CoAChEBI
(E)-hexadec-2-enoyl-CoA tetraanionChEBI
(E)-hexadec-2-enoyl-coenzyme A(4−)ChEBI
(E)-hexadec-2-enoyl-coenzyme A tetraanionChEBI
trans-2-hexadecenoyl-CoA(4−)SUBMITTER
trans-2-hexadecenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(2E)-hexadecenoyl-CoAUniProt
Manual XrefsDatabases
CPD0-2117MetaCyc