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CHEBI:140053 - oscr#3-CoA

ChEBI IDCHEBI:140053
ChEBI Nameoscr#3-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#3.
Last Modified19 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC36H60N7O21P3S
Net Charge0
Average Mass1051.893
Monoisotopic Mass1051.27758
SMILESC[C@@H]1O[C@@H](OCCCCCC/C=C/C(=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/C36H60N7O21P3S/c1-21-22(44)16-23(45)35(61-21)58-14-9-7-5-4-6-8-10-26(47)68-15-13-38-25(46)11-12-39-33(50)30(49)36(2,3)18-60-67(56,57)64-66(54,55)59-17-24-29(63-65(51,52)53)28(48)34(62-24)43-20-42-27-31(37)40-19-41-32(27)43/h8,10,19-24,28-30,34-35,44-45,48-49H,4-7,9,11-18H2,1-3H3,(H,38,46)(H,39,50)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/b10-8+/t21-,22+,23+,24+,28+,29+,30-,34+,35+/m0/s1
InChIKeyHDPRLFGUCIUTAV-FVVVJHBGSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#3-CoA (CHEBI:140053) has functional parent oscr#3 (CHEBI:79131)
oscr#3-CoA (CHEBI:140053) is a acyl-CoA (CHEBI:17984)
oscr#3-CoA (CHEBI:140053) is conjugate acid of oscr#3-CoA(4−) (CHEBI:140054)
Incoming Relation(s)
oscr#3-CoA(4−) (CHEBI:140054) is conjugate base of oscr#3-CoA (CHEBI:140053)
Synonyms  Source
(2E)-9-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]non-2-enoyl-coenzyme AChEBI
oscr#3-coenzyme AChEBI
(2E)-9-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]non-2-enoyl-CoAChEBI