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CHEBI:139999 - oscr#21-CoA

ChEBI IDCHEBI:139999
ChEBI Nameoscr#21-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#21.
Last Modified1 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC40H68N7O21P3S
Net Charge0
Average Mass1108.001
Monoisotopic Mass1107.34018
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCC/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/C40H68N7O21P3S/c1-25-26(48)20-27(49)39(65-25)62-18-13-11-9-7-5-4-6-8-10-12-14-30(51)72-19-17-42-29(50)15-16-43-37(54)34(53)40(2,3)22-64-71(60,61)68-70(58,59)63-21-28-33(67-69(55,56)57)32(52)38(66-28)47-24-46-31-35(41)44-23-45-36(31)47/h12,14,23-28,32-34,38-39,48-49,52-53H,4-11,13,15-22H2,1-3H3,(H,42,50)(H,43,54)(H,58,59)(H,60,61)(H2,41,44,45)(H2,55,56,57)/b14-12+/t25-,26+,27+,28+,32+,33+,34-,38+,39+/m0/s1
InChIKeyNLXRDQDURDPQJS-OMVAVZHESA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#21-CoA (CHEBI:139999) has functional parent oscr#21 (CHEBI:79143)
oscr#21-CoA (CHEBI:139999) is a acyl-CoA (CHEBI:17984)
oscr#21-CoA (CHEBI:139999) is conjugate acid of oscr#21-CoA(4−) (CHEBI:140000)
Incoming Relation(s)
oscr#21-CoA(4−) (CHEBI:140000) is conjugate base of oscr#21-CoA (CHEBI:139999)
Synonyms  Source
oscr#21-coenzyme AChEBI
(2E)-13-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tridec-2-enoyl-CoAChEBI
(2E)-13-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tridec-2-enoyl-coenzyme AChEBI