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CHEBI:49294 - cis-6-hydroxyhex-3-enoyl-CoA

ChEBI IDCHEBI:49294
ChEBI Namecis-6-hydroxyhex-3-enoyl-CoA
Stars
ASCII Namecis-6-hydroxyhex-3-enoyl-CoA
Last Modified13 May 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44N7O18P3S
Net Charge0
Average Mass879.669
Monoisotopic Mass879.16764
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)C/C=C\CCO
InChIInChI=1S/C27H44N7O18P3S/c1-27(2,22(39)25(40)30-8-7-17(36)29-9-11-56-18(37)6-4-3-5-10-35)13-49-55(46,47)52-54(44,45)48-12-16-21(51-53(41,42)43)20(38)26(50-16)34-15-33-19-23(28)31-14-32-24(19)34/h3-4,14-16,20-22,26,35,38-39H,5-13H2,1-2H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/b4-3-/t16-,20-,21-,22+,26-/m1/s1
InChIKeyHZHMFZAKYSAIGU-YINSCCIPSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
cis-6-hydroxyhex-3-enoyl-CoA (CHEBI:49294) is a 6-hydroxyhex-3-enoyl-CoA (CHEBI:49281)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3Z)-6-hydroxyhex-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}