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CHEBI:139969 - oscr#12-CoA

ChEBI IDCHEBI:139969
ChEBI Nameoscr#12-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#12.
Last Modified15 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC33H56N7O21P3S
Net Charge0
Average Mass1011.828
Monoisotopic Mass1011.24628
SMILESC[C@@H]1O[C@@H](OCCCCCC(=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/C33H56N7O21P3S/c1-18-19(41)13-20(42)32(58-18)55-11-6-4-5-7-23(44)65-12-10-35-22(43)8-9-36-30(47)27(46)33(2,3)15-57-64(53,54)61-63(51,52)56-14-21-26(60-62(48,49)50)25(45)31(59-21)40-17-39-24-28(34)37-16-38-29(24)40/h16-21,25-27,31-32,41-42,45-46H,4-15H2,1-3H3,(H,35,43)(H,36,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t18-,19+,20+,21+,25+,26+,27-,31+,32+/m0/s1
InChIKeyJQSJPRMRKRGXEJ-BFRJETTRSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#12-CoA (CHEBI:139969) has functional parent oscr#12 (CHEBI:79135)
oscr#12-CoA (CHEBI:139969) is a acyl-CoA (CHEBI:17984)
oscr#12-CoA (CHEBI:139969) is conjugate acid of oscr#12-CoA(4−) (CHEBI:139970)
Incoming Relation(s)
oscr#12-CoA(4−) (CHEBI:139970) is conjugate base of oscr#12-CoA (CHEBI:139969)
Synonyms  Source
6-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexanoyl-CoAChEBI
oscr#12-coenzyme AChEBI
6-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexanoyl-coenzyme AChEBI