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CHEBI:57311 - (1-hydroxycyclohexyl)acetyl-CoA(4−)

ChEBI IDCHEBI:57311
ChEBI Name(1-hydroxycyclohexyl)acetyl-CoA(4−)
Stars
ASCII Name(1-hydroxycyclohexyl)acetyl-CoA(4-)
DefinitionTetraanion of (1-hydroxycyclohexyl)acetyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.
Last Modified18 February 2015
DownloadsMolfile
FormulaC29H44N7O18P3S
Net Charge-4
Average Mass903.691
Monoisotopic Mass903.16983
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)CC1(O)CCCCC1
InChIInChI=1S/C29H48N7O18P3S/c1-28(2,23(40)26(41)32-9-6-18(37)31-10-11-58-19(38)12-29(42)7-4-3-5-8-29)14-51-57(48,49)54-56(46,47)50-13-17-22(53-55(43,44)45)21(39)27(52-17)36-16-35-20-24(30)33-15-34-25(20)36/h15-17,21-23,27,39-40,42H,3-14H2,1-2H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17-,21-,22-,23+,27-/m1/s1
InChIKeyPWNCFVRYBIYOCK-SVHODSNWSA-J
ChEBI Ontology
Outgoing Relation(s)
(1-hydroxycyclohexyl)acetyl-CoA(4−) (CHEBI:57311) is a acyl-CoA(4−) (CHEBI:58342)
(1-hydroxycyclohexyl)acetyl-CoA(4−) (CHEBI:57311) is conjugate base of (1-hydroxycyclohexyl)acetyl-CoA (CHEBI:15448)
Incoming Relation(s)
(1-hydroxycyclohexyl)acetyl-CoA (CHEBI:15448) is conjugate acid of (1-hydroxycyclohexyl)acetyl-CoA(4−) (CHEBI:57311)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(1-hydroxycyclohexyl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl]diphosphate}
UniProt Name  Source
(1-hydroxycyclohexan-1-yl)acetyl-CoAUniProt