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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 ChemicalBook:CB7854064, ChemicalBook:CB9927175, eMolecules:475727, ZINC000005224164
Download Molfile XML SDF
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