CHEBI:77084 - tetradecanedioyl-CoA(5−)

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ChEBI Name tetradecanedioyl-CoA(5−)
ChEBI ID CHEBI:77084
ChEBI ASCII Name tetradecanedioyl-CoA(5-)
Definition An acyl-CoA oxoanion that is the pentaanion of tetradecanedioyl-CoA, arising from deprotonation of the 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 C35H55N7O19P3S
Net Charge -5
Average Mass 1002.83600
Monoisotopic Mass 1002.25137
InChI InChI=1S/C35H60N7O19P3S/c1-35(2,30(48)33(49)38-16-15-24(43)37-17-18-65-26(46)14-12-10-8-6-4-3-5-7-9-11-13-25(44)45)20-58-64(55,56)61-63(53,54)57-19-23-29(60-62(50,51)52)28(47)34(59-23)42-22-41-27-31(36)39-21-40-32(27)42/h21-23,28-30,34,47-48H,3-20H2,1-2H3,(H,37,43)(H,38,49)(H,44,45)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/p-5/t23-,28-,29-,30+,34-/m1/s1
InChIKey TVXJIGZINAEEEG-XIOMLZLPSA-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)CCCCCCCCCCCCC([O-])=O
ChEBI Ontology
Outgoing tetradecanedioyl-CoA(5−) (CHEBI:77084) is a acyl-CoA oxoanion (CHEBI:58946)
tetradecanedioyl-CoA(5−) (CHEBI:77084) is conjugate base of tetradecanedioyl-CoA (CHEBI:77207)
Incoming tetradecanedioyl-CoA (CHEBI:77207) is conjugate acid of tetradecanedioyl-CoA(5−) (CHEBI:77084)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[13-carboxylatotridecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
DC14:0-CoA(5−) SUBMITTER
tetradecanedioyl-CoA UniProt
tetradecanedioyl-coenzyme A(5−) ChEBI
Last Modified
03 February 2014