CHEBI:61378 - 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6−)

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ChEBI Name 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6−) ChEBI ID CHEBI:61378 ChEBI ASCII Name 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6-) Definition An organophosphate oxoanion that is the hexaanion formed from 2'-(5-triphosphoribosyl)-3'-dephospho-CoA by global loss of protons from the di- and tri-phospho groups. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anne Morgat Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H40N7O26P5S Net Charge -6 Average Mass 1053.56100 Monoisotopic Mass 1053.04647 InChI InChI=1S/C26H46N7O26P5S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-65)9-53-63(47,48)58-61(43,44)52-8-13-17(36)19(24(54-13)33-11-32-15-21(27)30-10-31-22(15)33)56-25-18(37)16(35)12(55-25)7-51-62(45,46)59-64(49,50)57-60(40,41)42/h10-13,16-20,24-25,35-38,65H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,27,30,31)(H2,40,41,42)/p-6/t12-,13-,16-,17-,18-,19-,20+,24-,25-/m1/s1 InChIKey NFWZJXFBUKDGOX-HWCXJHOSSA-H SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O[C@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS ChEBI Ontology Outgoing 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6−) (CHEBI:61378) is a organophosphate oxoanion (CHEBI:58945) 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6−) (CHEBI:61378) is conjugate base of 2'-(5-triphosphoribosyl)-3'-dephospho-CoA (CHEBI:11392) Incoming 2'-(5-triphosphoribosyl)-3'-dephospho-CoA (CHEBI:11392) is conjugate acid of 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6−) (CHEBI:61378) IUPAC Name 2'-(5-triphosphonato-α-D-ribofuranosyl)adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] diphosphate} Synonyms Sources 2'-(5''-triphospho-α-D-ribosyl)-3'-dephospho-CoA UniProt 2'-(5''-triphosphoribosyl)-3'-dephospho-CoA hexaanion ChEBI 2-5-triphosphoribosyl-3-dephospho-CoA(6−) SUBMITTER Citation Type Source 11052675 PubMed citation Europe PMC Last Modified 15 May 2013