CHEBI:139983 - oscr#16-CoA(4−)

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ChEBI Name oscr#16-CoA(4−)
ChEBI ID CHEBI:139983
ChEBI ASCII Name oscr#16-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#16-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
Supplier Information
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Formula C37H60N7O21P3S
Net Charge -4
Average Mass 1063.895
Monoisotopic Mass 1063.27978
InChI InChI=1S/C37H64N7O21P3S/c1-22-23(45)17-24(46)36(62-22)59-15-10-8-6-4-5-7-9-11-27(48)69-16-14-39-26(47)12-13-40-34(51)31(50)37(2,3)19-61-68(57,58)65-67(55,56)60-18-25-30(64-66(52,53)54)29(49)35(63-25)44-21-43-28-32(38)41-20-42-33(28)44/h20-25,29-31,35-36,45-46,49-50H,4-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/p-4/t22-,23+,24+,25+,29+,30+,31-,35+,36+/m0/s1
InChIKey IWCGIYWOOJAKFW-RDOYHACNSA-J
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCC(=O)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
ChEBI Ontology
Outgoing oscr#16-CoA(4−) (CHEBI:139983) is a acyl-CoA(4−) (CHEBI:58342)
oscr#16-CoA(4−) (CHEBI:139983) is conjugate base of oscr#16-CoA (CHEBI:139982)
Incoming oscr#16-CoA (CHEBI:139982) is conjugate acid of oscr#16-CoA(4−) (CHEBI:139983)
Synonyms Sources
10-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]decanoyl-CoA(4−) ChEBI
10-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]decanoyl-coenzyme A(4−) ChEBI
oscr#16-coenzyme A(4−) ChEBI
Last Modified
02 March 2018