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CHEBI:746910 - 2,6-dimethyl-trans-2-heptenoyl-CoA

ChEBI IDCHEBI:746910
ChEBI Name2,6-dimethyl-trans-2-heptenoyl-CoA
Stars
Last Modified30 October 2025
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC30H46N7O17P3S
Net Charge-4
Average Mass901.719
Monoisotopic Mass901.19057
SMILESC/C(=C\CCC(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/C30H50N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h8,15-17,19,22-24,28,39-40H,6-7,9-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/b18-8+/t19-,22-,23-,24+,28-/m1/s1
InChIKeyBQVMKMLUXZLYFD-VPROWIOGSA-J
ChEBI Ontology
Outgoing Relation(s)
2,6-dimethyl-trans-2-heptenoyl-CoA (CHEBI:746910) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
Citations