CHEBI:140023 - oscr#29-CoA

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ChEBI Name oscr#29-CoA
ChEBI ID CHEBI:140023
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#29.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
Supplier Information No supplier information found for this compound.
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Formula C44H76N7O21P3S
Net Charge 0
Average Mass 1164.098
Monoisotopic Mass 1163.40278
InChI InChI=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
InChIKey PNUYOAIQMPSVSF-FVITZMBHSA-N
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 oscr#29-CoA(4−) (CHEBI:140024) is conjugate base of oscr#29-CoA (CHEBI:140023)
Synonyms Sources
(2E)-17-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptadec-2-enoyl-CoA ChEBI
(2E)-17-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptadec-2-enoyl-coenzyme A ChEBI
oscr#29-coenzyme A ChEBI
Last Modified
20 February 2018