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CHEBI:74134 - (17Z)-hexacosenoyl-CoA(4−)

ChEBI IDCHEBI:74134
ChEBI Name(17Z)-hexacosenoyl-CoA(4−)
Stars
ASCII Name(17Z)-hexacosenoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (17Z)-hexacosenoyl-CoA
Last Modified27 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC47H80N7O17P3S
Net Charge-4
Average Mass1140.178
Monoisotopic Mass1139.45662
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=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/h11-12,34-36,40-42,46,57-58H,4-10,13-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/b12-11-/t36-,40-,41-,42+,46-/m1/s1
InChIKeyJVXVVYLDZADSQX-UNLUTKPOSA-J
ChEBI Ontology
Outgoing Relation(s)
(17Z)-hexacosenoyl-CoA(4−) (CHEBI:74134) is a C26:1-CoA(4−) (CHEBI:74161)
(17Z)-hexacosenoyl-CoA(4−) (CHEBI:74134) is a very long-chain fatty acyl-CoA(4−) (CHEBI:138261)
(17Z)-hexacosenoyl-CoA(4−) (CHEBI:74134) is conjugate base of (17Z)-hexacosenoyl-CoA (CHEBI:74149)
Incoming Relation(s)
(17Z)-hexacosenoyl-CoA (CHEBI:74149) is conjugate acid of (17Z)-hexacosenoyl-CoA(4−) (CHEBI:74134)
IUPAC Name 
5'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(17Z)-hexacos-15-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
(Z)-hexacos-17-enoyl-coenzyme A(4−)SUBMITTER
17cis-hexacosenoyl-CoA(4−)SUBMITTER
ximenoyl-CoA(4−)SUBMITTER
17Z-C26:1-CoA(4−)SUBMITTER
ximenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(17Z)-hexacosenoyl-CoAUniProt