EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:140045 - oscr#36-CoA

ChEBI IDCHEBI:140045
ChEBI Nameoscr#36-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#36.
Last Modified19 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC47H84N7O21P3S
Net Charge0
Average Mass1208.206
Monoisotopic Mass1207.46538
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)/t32-,33+,34+,35+,39+,40+,41-,45+,46+/m0/s1
InChIKeyCTDISUDSHUNLOZ-LTSXADRNSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#36-CoA (CHEBI:140045) has functional parent oscr#36 (CHEBI:79158)
oscr#36-CoA (CHEBI:140045) is a acyl-CoA (CHEBI:17984)
oscr#36-CoA (CHEBI:140045) is conjugate acid of oscr#36-CoA(4−) (CHEBI:140046)
Incoming Relation(s)
oscr#36-CoA(4−) (CHEBI:140046) is conjugate base of oscr#36-CoA (CHEBI:140045)
Synonyms  Source
20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icosanoyl-coenzyme AChEBI
oscr#36-coenzyme AChEBI
20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icosanoyl-CoAChEBI