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CHEBI:234528 - (2E)-henicosenoyl-CoA(4-)

ChEBI IDCHEBI:234528
ChEBI Name(2E)-henicosenoyl-CoA(4-)
Stars
DefinitionA monounsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E)-henicosenoic acid; major species at pH 7.3.
Last Modified1 July 2025
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC42H70N7O17P3S
Net Charge-4
Average Mass1070.043
Monoisotopic Mass1069.37837
SMILESCCCCCCCCCCCCCCCCCC/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/C42H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(51)70-26-25-44-32(50)23-24-45-40(54)37(53)42(2,3)28-63-69(60,61)66-68(58,59)62-27-31-36(65-67(55,56)57)35(52)41(64-31)49-30-48-34-38(43)46-29-47-39(34)49/h21-22,29-31,35-37,41,52-53H,4-20,23-28H2,1-3H3,(H,44,50)(H,45,54)(H,58,59)(H,60,61)(H2,43,46,47)(H2,55,56,57)/p-4/b22-21+/t31-,35-,36-,37+,41-/m1/s1
InChIKeySKCNHHIVLZFDCJ-HQSKZEMCSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E)-henicosenoyl-CoA(4-) (CHEBI:234528) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
(2E)-henicosenoyl-CoA(4-) (CHEBI:234528) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
Synonyms  Source
C21:1-CoA(4-)SUBMITTER
trans-2-henicosenoyl-CoA(4-)SUBMITTER
trans-2-heneicosenoyl-CoA(4-)SUBMITTER