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CHEBI:139994 - oscr#1-CoA(4−)

ChEBI IDCHEBI:139994
ChEBI Nameoscr#1-CoA(4−)
Stars
ASCII Nameoscr#1-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#1-CoA; major species at pH 7.3.
Last Modified1 December 2020
SubmitterMichael Witting
DownloadsMolfile
FormulaC34H54N7O21P3S
Net Charge-4
Average Mass1021.823
Monoisotopic Mass1021.23283
SMILESC[C@@H]1O[C@@H](OCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C34H58N7O21P3S/c1-19-20(42)14-21(43)33(59-19)56-12-7-5-4-6-8-24(45)66-13-11-36-23(44)9-10-37-31(48)28(47)34(2,3)16-58-65(54,55)62-64(52,53)57-15-22-27(61-63(49,50)51)26(46)32(60-22)41-18-40-25-29(35)38-17-39-30(25)41/h17-22,26-28,32-33,42-43,46-47H,4-16H2,1-3H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/p-4/t19-,20+,21+,22+,26+,27+,28-,32+,33+/m0/s1
InChIKeyOVQXUWRJYQBXHL-DOBPLDRNSA-J
ChEBI Ontology
Outgoing Relation(s)
oscr#1-CoA(4−) (CHEBI:139994) is a acyl-CoA(4−) (CHEBI:58342)
oscr#1-CoA(4−) (CHEBI:139994) is conjugate base of oscr#1-CoA (CHEBI:139993)
Incoming Relation(s)
oscr#1-CoA (CHEBI:139993) is conjugate acid of oscr#1-CoA(4−) (CHEBI:139994)
Synonyms  Source
7-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptanoyl-CoA(4−)ChEBI
oscr#1-coenzyme A(4−)ChEBI
7-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
asc-ωC7-CoAUniProt