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

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ChEBI Name trans-2-hexacosenoyl-CoA(4−)
ChEBI ID CHEBI:74281
ChEBI ASCII Name trans-2-hexacosenoyl-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of trans-2-hexacosenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Hnin
Supplier Information
Download Molfile XML SDF
Formula C47H80N7O17P3S
Net Charge -4
Average Mass 1140.16100
Monoisotopic Mass 1139.45662
InChI InChI=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
InChIKey GGUUXBBWTGIIGE-KESUDTCVSA-J
SMILES CCCCCCCCCCCCCCCCCCCCCCC\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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 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 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 Sources
(2E)-hexacosenoyl-CoA UniProt
(E)-2-hexacosenoyl-CoA(4−) ChEBI
(E)-2-hexacosenoyl-coenzyme A(4−) ChEBI
trans-2-hexacosenoyl-coenzyme A(4−) ChEBI
Last Modified
25 April 2017