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CHEBI:74281 - trans-2-hexacosenoyl-CoA(4−)

ChEBI IDCHEBI:74281
ChEBI Nametrans-2-hexacosenoyl-CoA(4−)
Stars
ASCII Nametrans-2-hexacosenoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of trans-2-hexacosenoyl-CoA.
Last Modified25 April 2017
SubmitterHnin
DownloadsMolfile
FormulaC47H80N7O17P3S
Net Charge-4
Average Mass1140.178
Monoisotopic Mass1139.45662
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)/p-4/b27-26+/t36-,40-,41-,42+,46-/m1/s1
InChIKeyGGUUXBBWTGIIGE-KESUDTCVSA-J
ChEBI Ontology
Outgoing Relation(s)
trans-2-hexacosenoyl-CoA(4−) (CHEBI:74281) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
trans-2-hexacosenoyl-CoA(4−) (CHEBI:74281) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
trans-2-hexacosenoyl-CoA(4−) (CHEBI:74281) is conjugate base of trans-2-hexacosenoyl-CoA (CHEBI:52975)
Incoming Relation(s)
trans-2-hexacosenoyl-CoA (CHEBI:52975) is conjugate acid of trans-2-hexacosenoyl-CoA(4−) (CHEBI:74281)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hexacos-2-enoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
trans-2-hexacosenoyl-coenzyme A(4−)ChEBI
(E)-2-hexacosenoyl-coenzyme A(4−)ChEBI
(E)-2-hexacosenoyl-CoA(4−)ChEBI
UniProt Name  Source
(2E)-hexacosenoyl-CoAUniProt