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CHEBI:52975 - trans-2-hexacosenoyl-CoA

ChEBI IDCHEBI:52975
ChEBI Nametrans-2-hexacosenoyl-CoA
Stars
ASCII Nametrans-2-hexacosenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-hexacosenoic acid.
Last Modified5 February 2018
Submitterkieran
DownloadsMolfile
FormulaC47H84N7O17P3S
Net Charge0
Average Mass1144.210
Monoisotopic Mass1143.48573
SMILESCCCCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C47H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h26-27,34-36,40-42,46,57-58H,4-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/b27-26+/t36-,40-,41-,42+,46-/m1/s1
InChIKeyGGUUXBBWTGIIGE-KESUDTCVSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
trans-2-hexacosenoyl-CoA (CHEBI:52975) has functional parent trans-2-hexacosenoic acid (CHEBI:52984)
trans-2-hexacosenoyl-CoA (CHEBI:52975) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
trans-2-hexacosenoyl-CoA (CHEBI:52975) is a trans-2-enoyl-CoA (CHEBI:50998)
trans-2-hexacosenoyl-CoA (CHEBI:52975) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
trans-2-hexacosenoyl-CoA (CHEBI:52975) is a very long-chain fatty acyl-CoA (CHEBI:61910)
trans-2-hexacosenoyl-CoA (CHEBI:52975) is conjugate acid of trans-2-hexacosenoyl-CoA(4−) (CHEBI:74281)
Incoming Relation(s)
trans-2-hexacosenoyl-CoA(4−) (CHEBI:74281) is conjugate base of trans-2-hexacosenoyl-CoA (CHEBI:52975)
IUPAC Names 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hexacos-2-enoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
(2E)-hexacos-2-enoyl-coenzyme A
Synonyms  Source
(2E)-hexacos-2-enoyl-CoAChEBI
trans-hexacos-2-enoyl-coenzyme AChEBI
trans-hexacos-2-enoyl-CoAChEBI
trans-2-hexacosenoyl-coenzyme AChEBI
(E)-hexacos-2-enoyl-CoAChEBI
(E)-2-hexacosenoyl-CoAChEBI