CHEBI:77075 - (2E)-hexadecenedioyl-CoA(5−)

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ChEBI Name (2E)-hexadecenedioyl-CoA(5−)
ChEBI ID CHEBI:77075
ChEBI ASCII Name (2E)-hexadecenedioyl-CoA(5-)
Definition An acyl-CoA oxoanion that is the pentaanion of (2E)-hexadecenedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C37H57N7O19P3S
Net Charge -5
Average Mass 1028.87300
Monoisotopic Mass 1028.26702
InChI InChI=1S/C37H62N7O19P3S/c1-37(2,32(50)35(51)40-18-17-26(45)39-19-20-67-28(48)16-14-12-10-8-6-4-3-5-7-9-11-13-15-27(46)47)22-60-66(57,58)63-65(55,56)59-21-25-31(62-64(52,53)54)30(49)36(61-25)44-24-43-29-33(38)41-23-42-34(29)44/h14,16,23-25,30-32,36,49-50H,3-13,15,17-22H2,1-2H3,(H,39,45)(H,40,51)(H,46,47)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/p-5/b16-14+/t25-,30-,31-,32+,36-/m1/s1
InChIKey SJBSPCRLRGPAHQ-OHCWBFRRSA-I
SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCCCCCCCCCCCC([O-])=O
ChEBI Ontology
Outgoing (2E)-hexadecenedioyl-CoA(5−) (CHEBI:77075) is a acyl-CoA oxoanion (CHEBI:58946)
(2E)-hexadecenedioyl-CoA(5−) (CHEBI:77075) is conjugate base of (2E)-hexadecenedioyl-CoA (CHEBI:77183)
Incoming (2E)-hexadecenedioyl-CoA (CHEBI:77183) is conjugate acid of (2E)-hexadecenedioyl-CoA(5−) (CHEBI:77075)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-15-carboxylatopentadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(2E)-hexadecenedioyl-CoA UniProt
(2E)-hexadecenedioyl-coenzyme A(5−) ChEBI
trans-2-C16:1-DCA-CoA(5−) SUBMITTER
trans-2-hexadecenedioyl-CoA(5−) SUBMITTER
trans-2-hexadecenedioyl-coenzyme A(5−) ChEBI
Last Modified
03 February 2014