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CHEBI:144830 - (5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−)

ChEBI IDCHEBI:144830
ChEBI Name(5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−)
Stars
ASCII Name(5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H40N7O18P3S
Net Charge-4
Average Mass887.648
Monoisotopic Mass887.13853
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)C1=CCC[C@H](O)C1
InChIInChI=1S/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-7-6-18(37)30-8-9-57-27(41)15-4-3-5-16(36)10-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h4,13-14,16-17,20-22,26,36,38-39H,3,5-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t16-,17+,20+,21+,22-,26+/m0/s1
InChIKeyKKBUHPBECHCCGG-IPWBBTITSA-J
ChEBI Ontology
Outgoing Relation(s)
(5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:144830) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
(5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoAUniProt
Manual XrefsDatabases
CPD-22107MetaCyc
Citations