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CHEBI:140020 - oscr#28-CoA

ChEBI IDCHEBI:140020
ChEBI Nameoscr#28-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#28.
Last Modified23 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC43H76N7O21P3S
Net Charge0
Average Mass1152.098
Monoisotopic Mass1151.40278
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)/t28-,29+,30+,31+,35+,36+,37-,41+,42+/m0/s1
InChIKeySPQAPMAVWBBSLB-NTLUYEGJSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#28-CoA (CHEBI:140020) has functional parent oscr#28 (CHEBI:79150)
oscr#28-CoA (CHEBI:140020) is a acyl-CoA (CHEBI:17984)
oscr#28-CoA (CHEBI:140020) is conjugate acid of oscr#28-CoA(4−) (CHEBI:140021)
Incoming Relation(s)
oscr#28-CoA(4−) (CHEBI:140021) is conjugate base of oscr#28-CoA (CHEBI:140020)
Synonyms  Source
16-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexadecanoyl-coenzyme AChEBI
oscr#28-coenzyme AChEBI
16-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexadecanoyl-CoAChEBI