CHEBI:139989 - oscr#18-CoA(4−)

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ChEBI Name oscr#18-CoA(4−)
ChEBI ID CHEBI:139989
ChEBI ASCII Name oscr#18-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#18-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 C38H62N7O21P3S
Net Charge -4
Average Mass 1077.922
Monoisotopic Mass 1077.29543
InChI InChI=1S/C38H66N7O21P3S/c1-23-24(46)18-25(47)37(63-23)60-16-11-9-7-5-4-6-8-10-12-28(49)70-17-15-40-27(48)13-14-41-35(52)32(51)38(2,3)20-62-69(58,59)66-68(56,57)61-19-26-31(65-67(53,54)55)30(50)36(64-26)45-22-44-29-33(39)42-21-43-34(29)45/h21-26,30-32,36-37,46-47,50-51H,4-20H2,1-3H3,(H,40,48)(H,41,52)(H,56,57)(H,58,59)(H2,39,42,43)(H2,53,54,55)/p-4/t23-,24+,25+,26+,30+,31+,32-,36+,37+/m0/s1
InChIKey JNWMSLBBCWLNKD-LVUHESDLSA-J
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCC(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
ChEBI Ontology
Outgoing oscr#18-CoA(4−) (CHEBI:139989) is a acyl-CoA(4−) (CHEBI:58342)
oscr#18-CoA(4−) (CHEBI:139989) is conjugate base of oscr#18-CoA (CHEBI:139988)
Incoming oscr#18-CoA (CHEBI:139988) is conjugate acid of oscr#18-CoA(4−) (CHEBI:139989)
Synonyms Sources
11-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]undecanoyl-CoA(4−) ChEBI
11-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]undecanoyl-coenzyme A(4−) ChEBI
oscr#18-coenzyme A(4−) ChEBI
Last Modified
01 March 2018