EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140008 - oscr#24-CoA

Default Structure
ChEBI IDCHEBI:140008
ChEBI Nameoscr#24-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#24.
Last Modified23 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC41H72N7O21P3S
Net Charge0
Average Mass1124.044
Monoisotopic Mass1123.37148
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=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/C41H72N7O21P3S/c1-26-27(49)21-28(50)40(66-26)63-19-14-12-10-8-6-4-5-7-9-11-13-15-31(52)73-20-18-43-30(51)16-17-44-38(55)35(54)41(2,3)23-65-72(61,62)69-71(59,60)64-22-29-34(68-70(56,57)58)33(53)39(67-29)48-25-47-32-36(42)45-24-46-37(32)48/h24-29,33-35,39-40,49-50,53-54H,4-23H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/t26-,27+,28+,29+,33+,34+,35-,39+,40+/m0/s1
InChIKeyOFGPNJKKYRFFPP-SKJBWMQWSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#24-CoA (CHEBI:140008) has functional parent oscr#24 (CHEBI:79146)
oscr#24-CoA (CHEBI:140008) is a acyl-CoA (CHEBI:17984)
oscr#24-CoA (CHEBI:140008) is conjugate acid of oscr#24-CoA(4−) (CHEBI:140009)
Incoming Relation(s)
oscr#24-CoA(4−) (CHEBI:140009) is conjugate base of oscr#24-CoA (CHEBI:140008)
Synonyms  Source
14-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tetradecanoyl-CoAChEBI
14-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tetradecanoyl-coenzyme AChEBI
oscr#24-coenzyme AChEBI