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CHEBI:144824 - (4R,5R)-4,5-dihydroxycyclohex-2-ene-1-carbonyl-CoA(4−)

ChEBI IDCHEBI:144824
ChEBI Name(4R,5R)-4,5-dihydroxycyclohex-2-ene-1-carbonyl-CoA(4−)
Stars
ASCII Name(4R,5R)-4,5-dihydroxycyclohex-2-ene-1-carbonyl-CoA(4-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H40N7O19P3S
Net Charge-4
Average Mass903.647
Monoisotopic Mass903.13345
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1C=C[C@@H](O)[C@H](O)C1
InChIInChI=1S/C28H44N7O19P3S/c1-28(2,22(40)25(41)31-6-5-18(38)30-7-8-58-27(42)14-3-4-15(36)16(37)9-14)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)35-13-34-19-23(29)32-12-33-24(19)35/h3-4,12-17,20-22,26,36-37,39-40H,5-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-4/t14?,15-,16-,17-,20-,21-,22+,26-/m1/s1
InChIKeyMWLPXLFXDOZBTP-FBXVULCTSA-J
ChEBI Ontology
Outgoing Relation(s)
(4R,5R)-4,5-dihydroxycyclohex-2-ene-1-carbonyl-CoA(4−) (CHEBI:144824) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
(4R,5R)-4,5-dihydroxycyclohex-2-ene-1-carbonyl-CoAUniProt
Manual XrefsDatabases
CPD-22105MetaCyc
Citations