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 No supplier information found for this compound.
Download Molfile XML SDF
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