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CHEBI:140021 - oscr#28-CoA(4−)

ChEBI IDCHEBI:140021
ChEBI Nameoscr#28-CoA(4−)
Stars
ASCII Nameoscr#28-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#28-CoA; major species at pH 7.3.
Last Modified23 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC43H72N7O21P3S
Net Charge-4
Average Mass1148.066
Monoisotopic Mass1147.37368
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C43H76N7O21P3S/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/h26-31,35-37,41-42,51-52,55-56H,4-25H2,1-3H3,(H,45,53)(H,46,57)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/p-4/t28-,29+,30+,31+,35+,36+,37-,41+,42+/m0/s1
InChIKeySPQAPMAVWBBSLB-NTLUYEGJSA-J
ChEBI Ontology
Outgoing Relation(s)
oscr#28-CoA(4−) (CHEBI:140021) is a acyl-CoA(4−) (CHEBI:58342)
oscr#28-CoA(4−) (CHEBI:140021) is conjugate base of oscr#28-CoA (CHEBI:140020)
Incoming Relation(s)
oscr#28-CoA (CHEBI:140020) is conjugate acid of oscr#28-CoA(4−) (CHEBI:140021)
Synonyms  Source
16-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexadecanoyl-CoA(4−)ChEBI
oscr#28-coenzyme A(4−)ChEBI
16-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexadecanoyl-coenzyme A(4−)ChEBI