CHEBI:11392 - 2'-(5-triphosphoribosyl)-3'-dephospho-CoA

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ChEBI Name 2'-(5-triphosphoribosyl)-3'-dephospho-CoA
ChEBI ID CHEBI:11392
Definition An adenosine 5'-phosphate derivative that has the structure of coenzyme A dephosphorylated at C-3' and with a 5-triphospho-α-D-ribosyl substituent at C-2'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H46N7O26P5S
Net Charge 0
Average Mass 1059.60900
Monoisotopic Mass 1059.090
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)/t12-,13-,16-,17-,18-,19-,20+,24-,25-/m1/s1
InChIKey NFWZJXFBUKDGOX-HWCXJHOSSA-N
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 (CHEBI:11392) has functional parent coenzyme A (CHEBI:15346)
2'-(5-triphosphoribosyl)-3'-dephospho-CoA (CHEBI:11392) is a adenosine 5'-phosphate (CHEBI:37096)
2'-(5-triphosphoribosyl)-3'-dephospho-CoA (CHEBI:11392) is conjugate acid of 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6−) (CHEBI:61378)
Incoming 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6−) (CHEBI:61378) is conjugate base of 2'-(5-triphosphoribosyl)-3'-dephospho-CoA (CHEBI:11392)
IUPAC Name
2'-(5-triphospho-α-D-ribofuranosyl)adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
Citation Waiting for Citations Type Source
11052675 PubMed citation Europe PMC
Last Modified
15 May 2013