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CHEBI:139993 - oscr#1-CoA

ChEBI IDCHEBI:139993
ChEBI Nameoscr#1-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#1.
Last Modified1 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC34H58N7O21P3S
Net Charge0
Average Mass1025.855
Monoisotopic Mass1025.26193
SMILESC[C@@H]1O[C@@H](OCCCCCCC(=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/C34H58N7O21P3S/c1-19-20(42)14-21(43)33(59-19)56-12-7-5-4-6-8-24(45)66-13-11-36-23(44)9-10-37-31(48)28(47)34(2,3)16-58-65(54,55)62-64(52,53)57-15-22-27(61-63(49,50)51)26(46)32(60-22)41-18-40-25-29(35)38-17-39-30(25)41/h17-22,26-28,32-33,42-43,46-47H,4-16H2,1-3H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/t19-,20+,21+,22+,26+,27+,28-,32+,33+/m0/s1
InChIKeyOVQXUWRJYQBXHL-DOBPLDRNSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#1-CoA (CHEBI:139993) has functional parent oscr#1 (CHEBI:79130)
oscr#1-CoA (CHEBI:139993) is a acyl-CoA (CHEBI:17984)
oscr#1-CoA (CHEBI:139993) is conjugate acid of oscr#1-CoA(4−) (CHEBI:139994)
Incoming Relation(s)
oscr#1-CoA(4−) (CHEBI:139994) is conjugate base of oscr#1-CoA (CHEBI:139993)
Synonyms  Source
7-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptanoyl-coenzyme AChEBI
oscr#1-coenzyme AChEBI
7-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptanoyl-CoAChEBI