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