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CHEBI:139712 - ascr#7-CoA(4−)

ChEBI IDCHEBI:139712
ChEBI Nameascr#7-CoA(4−)
Stars
ASCII Nameascr#7-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of ascr#7-CoA; major species at pH 7.3.
Last Modified5 January 2021
SubmitterMichael Witting
DownloadsMolfile
FormulaC34H52N7O21P3S
Net Charge-4
Average Mass1019.807
Monoisotopic Mass1019.21718
SMILESC[C@H](CC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C34H56N7O21P3S/c1-18(58-33-21(43)13-20(42)19(2)59-33)7-5-6-8-24(45)66-12-11-36-23(44)9-10-37-31(48)28(47)34(3,4)15-57-65(54,55)62-64(52,53)56-14-22-27(61-63(49,50)51)26(46)32(60-22)41-17-40-25-29(35)38-16-39-30(25)41/h6,8,16-22,26-28,32-33,42-43,46-47H,5,7,9-15H2,1-4H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/p-4/b8-6+/t18-,19+,20-,21-,22-,26-,27-,28+,32-,33-/m1/s1
InChIKeySESCPHWMUINXHL-JHOQZYNTSA-J
ChEBI Ontology
Outgoing Relation(s)
ascr#7-CoA(4−) (CHEBI:139712) is a acyl-CoA(4−) (CHEBI:58342)
ascr#7-CoA(4−) (CHEBI:139712) is conjugate base of ascr#7-CoA (CHEBI:139711)
Incoming Relation(s)
ascr#7-CoA (CHEBI:139711) is conjugate acid of ascr#7-CoA(4−) (CHEBI:139712)
UniProt Name  Source
asc-ΔC7-CoAUniProt