CHEBI:140059 - oscr#9-CoA

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ChEBI Name oscr#9-CoA
ChEBI ID CHEBI:140059
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#9
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
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Formula C32H54N7O21P3S
Net Charge 0
Average Mass 997.790
Monoisotopic Mass 997.23063
InChI InChI=1S/C32H54N7O21P3S/c1-17-18(40)12-19(41)31(57-17)54-10-5-4-6-22(43)64-11-9-34-21(42)7-8-35-29(46)26(45)32(2,3)14-56-63(52,53)60-62(50,51)55-13-20-25(59-61(47,48)49)24(44)30(58-20)39-16-38-23-27(33)36-15-37-28(23)39/h15-20,24-26,30-31,40-41,44-45H,4-14H2,1-3H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t17-,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1
InChIKey OJJVYBQJWBBERR-XKGQWQQESA-N
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CCCCO[C@@H]4O[C@@H](C)[C@@H](C[C@H]4O)O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
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ChEBI Ontology
Outgoing oscr#9-CoA (CHEBI:140059) has functional parent oscr#9 (CHEBI:79133)
oscr#9-CoA (CHEBI:140059) is a acyl-CoA (CHEBI:17984)
oscr#9-CoA (CHEBI:140059) is conjugate acid of oscr#9-CoA(4−) (CHEBI:140060)
Incoming oscr#9-CoA(4−) (CHEBI:140060) is conjugate base of oscr#9-CoA (CHEBI:140059)
Synonyms Sources
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentanoyl-CoA ChEBI
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentanoyl-coenzyme A ChEBI
oscr#9-coenzyme A ChEBI
Manual Xref Database
6QA PDBeChem
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Citation Waiting for Citations Type Source
27551084 PubMed citation Europe PMC
Last Modified
25 November 2019