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CHEBI:74149 - (17Z)-hexacosenoyl-CoA

ChEBI IDCHEBI:74149
ChEBI Name(17Z)-hexacosenoyl-CoA
Stars
ASCII Name(17Z)-hexacosenoyl-CoA
DefinitionA very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (17Z)-hexacosenoic acid.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC47H84N7O17P3S
Net Charge0
Average Mass1144.210
Monoisotopic Mass1143.48573
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)/b12-11-/t36-,40-,41-,42+,46-/m1/s1
InChIKeyJVXVVYLDZADSQX-UNLUTKPOSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(17Z)-hexacosenoyl-CoA (CHEBI:74149) has functional parent (17Z)-hexacosenoic acid (CHEBI:77525)
(17Z)-hexacosenoyl-CoA (CHEBI:74149) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(17Z)-hexacosenoyl-CoA (CHEBI:74149) is a very long-chain fatty acyl-CoA (CHEBI:61910)
(17Z)-hexacosenoyl-CoA (CHEBI:74149) is conjugate acid of (17Z)-hexacosenoyl-CoA(4−) (CHEBI:74134)
Incoming Relation(s)
(17Z)-hexacosenoyl-CoA(4−) (CHEBI:74134) is conjugate base of (17Z)-hexacosenoyl-CoA (CHEBI:74149)
IUPAC Name 
5'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(17Z)-hexacos-15-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
ximenoyl-coenzyme AChEBI
ximenoyl-CoAChEBI
(17Z)-hexacosenoyl-coenzyme AChEBI