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CHEBI:76292 - trans-2-nonenoyl-CoA(4−)

ChEBI IDCHEBI:76292
ChEBI Nametrans-2-nonenoyl-CoA(4−)
Stars
ASCII Nametrans-2-nonenoyl-CoA(4-)
DefinitionA 2,3-trans-enoyl CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of trans-2-nonenoyl-CoA; major species at pH 7.3.
Last Modified20 March 2018
Submitterlaimo
DownloadsMolfile
FormulaC30H46N7O17P3S
Net Charge-4
Average Mass901.719
Monoisotopic Mass901.19057
SMILESCCCCCC/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/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h9-10,17-19,23-25,29,40-41H,4-8,11-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/b10-9+/t19-,23-,24-,25+,29-/m1/s1
InChIKeyHBLOTZDYPZAZLE-OWQWVSLFSA-J
ChEBI Ontology
Outgoing Relation(s)
trans-2-nonenoyl-CoA(4−) (CHEBI:76292) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
trans-2-nonenoyl-CoA(4−) (CHEBI:76292) is conjugate base of trans-2-nonenoyl-CoA (CHEBI:76314)
Incoming Relation(s)
trans-2-nonenoyl-CoA (CHEBI:76314) is conjugate acid of trans-2-nonenoyl-CoA(4−) (CHEBI:76292)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-non-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
trans-2-nonenoyl-coenzyme A(4−)SUBMITTER
(E)-non-2-enoyl-CoA(4−)ChEBI
(E)-non-2-enoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(2E)-nonenoyl-CoAUniProt