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CHEBI:140046 - oscr#36-CoA(4−)

Default Structure
ChEBI IDCHEBI:140046
ChEBI Nameoscr#36-CoA(4−)
Stars
ASCII Nameoscr#36-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#36-CoA; major species at pH 7.3.
Last Modified19 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC47H80N7O21P3S
Net Charge-4
Average Mass1204.174
Monoisotopic Mass1203.43628
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCC(=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/C47H84N7O21P3S/c1-32-33(55)27-34(56)46(72-32)69-25-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-37(58)79-26-24-49-36(57)22-23-50-44(61)41(60)47(2,3)29-71-78(67,68)75-77(65,66)70-28-35-40(74-76(62,63)64)39(59)45(73-35)54-31-53-38-42(48)51-30-52-43(38)54/h30-35,39-41,45-46,55-56,59-60H,4-29H2,1-3H3,(H,49,57)(H,50,61)(H,65,66)(H,67,68)(H2,48,51,52)(H2,62,63,64)/p-4/t32-,33+,34+,35+,39+,40+,41-,45+,46+/m0/s1
InChIKeyCTDISUDSHUNLOZ-LTSXADRNSA-J
ChEBI Ontology
Outgoing Relation(s)
oscr#36-CoA(4−) (CHEBI:140046) is a acyl-CoA(4−) (CHEBI:58342)
oscr#36-CoA(4−) (CHEBI:140046) is conjugate base of oscr#36-CoA (CHEBI:140045)
Incoming Relation(s)
oscr#36-CoA (CHEBI:140045) is conjugate acid of oscr#36-CoA(4−) (CHEBI:140046)
Synonyms  Source
20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icosanoyl-CoA(4−)ChEBI
20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icosanoyl-coenzyme A(4−)ChEBI
oscr#36-coenzyme A(4−)ChEBI