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CHEBI:62077 - trans-hex-2-enoyl-CoA(4−)

ChEBI IDCHEBI:62077
ChEBI Nametrans-hex-2-enoyl-CoA(4−)
Stars
ASCII Nametrans-hex-2-enoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of trans-hex-2-enoyl-CoA; major species at pH 7.3.
Last Modified9 December 2015
SubmitterEugeni Belda
DownloadsMolfile
FormulaC27H40N7O17P3S
Net Charge-4
Average Mass859.638
Monoisotopic Mass859.14362
SMILESCCC/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/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b7-6+/t16-,20-,21-,22+,26-/m1/s1
InChIKeyOINXHIBNZUUIMR-IXUYQXAASA-J
ChEBI Ontology
Outgoing Relation(s)
trans-hex-2-enoyl-CoA(4−) (CHEBI:62077) has functional parent (Z)-hex-3-enoyl-CoA(4−) (CHEBI:85415)
trans-hex-2-enoyl-CoA(4−) (CHEBI:62077) is a acyl-CoA(4−) (CHEBI:58342)
trans-hex-2-enoyl-CoA(4−) (CHEBI:62077) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
trans-hex-2-enoyl-CoA(4−) (CHEBI:62077) is conjugate base of trans-hex-2-enoyl-CoA (CHEBI:28706)
Incoming Relation(s)
trans-hex-2-enoyl-CoA (CHEBI:28706) is conjugate acid of trans-hex-2-enoyl-CoA(4−) (CHEBI:62077)
Synonyms  Source
(2E)-hexenoyl-CoA(4−)SUBMITTER
(2E)-hexenoyl-coenzyme A(4−)ChEBI
hexenoyl-CoA(4−)SUBMITTER
trans-hex-2-enoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(2E)-hexenoyl-CoAUniProt
Manual XrefsDatabases
CPD0-2121MetaCyc