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CHEBI:140036 - oscr#33-CoA

ChEBI IDCHEBI:140036
ChEBI Nameoscr#33-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#33.
Last Modified14 April 2020
SubmitterMichael Witting
DownloadsMolfile
FormulaC46H80N7O21P3S
Net Charge0
Average Mass1192.163
Monoisotopic Mass1191.43408
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC/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/C46H80N7O21P3S/c1-31-32(54)26-33(55)45(71-31)68-24-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-36(57)78-25-23-48-35(56)21-22-49-43(60)40(59)46(2,3)28-70-77(66,67)74-76(64,65)69-27-34-39(73-75(61,62)63)38(58)44(72-34)53-30-52-37-41(47)50-29-51-42(37)53/h18,20,29-34,38-40,44-45,54-55,58-59H,4-17,19,21-28H2,1-3H3,(H,48,56)(H,49,60)(H,64,65)(H,66,67)(H2,47,50,51)(H2,61,62,63)/b20-18+/t31-,32+,33+,34+,38+,39+,40-,44+,45+/m0/s1
InChIKeyWZVQWQTVGATIDP-AEAONTGWSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#33-CoA (CHEBI:140036) has functional parent oscr#33 (CHEBI:79155)
oscr#33-CoA (CHEBI:140036) is a acyl-CoA (CHEBI:17984)
oscr#33-CoA (CHEBI:140036) is conjugate acid of oscr#33-CoA(4−) (CHEBI:140037)
Incoming Relation(s)
oscr#33-CoA(4−) (CHEBI:140037) is conjugate base of oscr#33-CoA (CHEBI:140036)
Synonyms  Source
(2E)-19-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]nonadec-2-enoyl-CoAChEBI
(2E)-19-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]nonadec-2-enoyl-coenzyme AChEBI
oscr#33-coenzyme AChEBI