CHEBI:140018 - oscr#27-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name oscr#27-CoA(4−)
ChEBI ID CHEBI:140018
ChEBI ASCII Name oscr#27-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#27-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C43H70N7O21P3S
Net Charge -4
Average Mass 1146.039
Monoisotopic Mass 1145.35803
InChI InChI=1S/C43H74N7O21P3S/c1-28-29(51)23-30(52)42(68-28)65-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-33(54)75-22-20-45-32(53)18-19-46-40(57)37(56)43(2,3)25-67-74(63,64)71-73(61,62)66-24-31-36(70-72(58,59)60)35(55)41(69-31)50-27-49-34-38(44)47-26-48-39(34)50/h15,17,26-31,35-37,41-42,51-52,55-56H,4-14,16,18-25H2,1-3H3,(H,45,53)(H,46,57)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/p-4/b17-15+/t28-,29+,30+,31+,35+,36+,37-,41+,42+/m0/s1
InChIKey DBOIUUAZTAJZKQ-FHNNOFDASA-J
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCC/C=C/C(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#27-CoA(4−) (CHEBI:140018) is a acyl-CoA(4−) (CHEBI:58342)
oscr#27-CoA(4−) (CHEBI:140018) is conjugate base of oscr#27-CoA (CHEBI:140017)
Incoming oscr#27-CoA (CHEBI:140017) is conjugate acid of oscr#27-CoA(4−) (CHEBI:140018)
Synonyms Sources
(2E)-16-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexadec-2-enoyl-CoA(4−) ChEBI
(2E)-16-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexadec-2-enoyl-coenzyme A(4−) ChEBI
oscr#27-coenzyme A(4−) ChEBI
Last Modified
23 February 2018