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CHEBI:140011 - oscr#25-CoA

ChEBI IDCHEBI:140011
ChEBI Nameoscr#25-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#25.
Last Modified23 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC42H72N7O21P3S
Net Charge0
Average Mass1136.055
Monoisotopic Mass1135.37148
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCC/C=C/C(=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/C42H72N7O21P3S/c1-27-28(50)22-29(51)41(67-27)64-20-15-13-11-9-7-5-4-6-8-10-12-14-16-32(53)74-21-19-44-31(52)17-18-45-39(56)36(55)42(2,3)24-66-73(62,63)70-72(60,61)65-23-30-35(69-71(57,58)59)34(54)40(68-30)49-26-48-33-37(43)46-25-47-38(33)49/h14,16,25-30,34-36,40-41,50-51,54-55H,4-13,15,17-24H2,1-3H3,(H,44,52)(H,45,56)(H,60,61)(H,62,63)(H2,43,46,47)(H2,57,58,59)/b16-14+/t27-,28+,29+,30+,34+,35+,36-,40+,41+/m0/s1
InChIKeyKDCIKDSBHWEIJJ-ODGANHKRSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#25-CoA (CHEBI:140011) has functional parent oscr#25 (CHEBI:79147)
oscr#25-CoA (CHEBI:140011) is a acyl-CoA (CHEBI:17984)
oscr#25-CoA (CHEBI:140011) is conjugate acid of oscr#25-CoA(4−) (CHEBI:140012)
Incoming Relation(s)
oscr#25-CoA(4−) (CHEBI:140012) is conjugate base of oscr#25-CoA (CHEBI:140011)
Synonyms  Source
(2E)-15-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentadec-2-enoyl-CoAChEBI
(2E)-15-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentadec-2-enoyl-coenzyme AChEBI
oscr#25-coenzyme AChEBI