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CHEBI:139976 - oscr#14-CoA

ChEBI IDCHEBI:139976
ChEBI Nameoscr#14-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#14.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC35H60N7O21P3S
Net Charge0
Average Mass1039.882
Monoisotopic Mass1039.27758
SMILESC[C@@H]1O[C@@H](OCCCCCCCC(=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/C35H60N7O21P3S/c1-20-21(43)15-22(44)34(60-20)57-13-8-6-4-5-7-9-25(46)67-14-12-37-24(45)10-11-38-32(49)29(48)35(2,3)17-59-66(55,56)63-65(53,54)58-16-23-28(62-64(50,51)52)27(47)33(61-23)42-19-41-26-30(36)39-18-40-31(26)42/h18-23,27-29,33-34,43-44,47-48H,4-17H2,1-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/t20-,21+,22+,23+,27+,28+,29-,33+,34+/m0/s1
InChIKeyLNESMCNAVCENOY-VWQWRKPCSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#14-CoA (CHEBI:139976) has functional parent oscr#14 (CHEBI:79136)
oscr#14-CoA (CHEBI:139976) is a acyl-CoA (CHEBI:17984)
oscr#14-CoA (CHEBI:139976) is conjugate acid of oscr#14-CoA(4−) (CHEBI:139977)
Incoming Relation(s)
oscr#14-CoA(4−) (CHEBI:139977) is conjugate base of oscr#14-CoA (CHEBI:139976)
Synonyms  Source
8-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]octanoyl-CoAChEBI
8-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]octanoyl-coenzyme AChEBI
oscr#14-coenzyme AChEBI