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CHEBI:140023 - oscr#29-CoA

ChEBI IDCHEBI:140023
ChEBI Nameoscr#29-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#29.
Last Modified20 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC44H76N7O21P3S
Net Charge0
Average Mass1164.109
Monoisotopic Mass1163.40278
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCC/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/C44H76N7O21P3S/c1-29-30(52)24-31(53)43(69-29)66-22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-34(55)76-23-21-46-33(54)19-20-47-41(58)38(57)44(2,3)26-68-75(64,65)72-74(62,63)67-25-32-37(71-73(59,60)61)36(56)42(70-32)51-28-50-35-39(45)48-27-49-40(35)51/h16,18,27-32,36-38,42-43,52-53,56-57H,4-15,17,19-26H2,1-3H3,(H,46,54)(H,47,58)(H,62,63)(H,64,65)(H2,45,48,49)(H2,59,60,61)/b18-16+/t29-,30+,31+,32+,36+,37+,38-,42+,43+/m0/s1
InChIKeyPNUYOAIQMPSVSF-FVITZMBHSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#29-CoA (CHEBI:140023) has functional parent oscr#29 (CHEBI:79151)
oscr#29-CoA (CHEBI:140023) is a acyl-CoA (CHEBI:17984)
oscr#29-CoA (CHEBI:140023) is conjugate acid of oscr#29-CoA(4−) (CHEBI:140024)
Incoming Relation(s)
oscr#29-CoA(4−) (CHEBI:140024) is conjugate base of oscr#29-CoA (CHEBI:140023)
Synonyms  Source
(2E)-17-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptadec-2-enoyl-CoAChEBI
oscr#29-coenzyme AChEBI
(2E)-17-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptadec-2-enoyl-coenzyme AChEBI