CHEBI:15448 - (1-hydroxycyclohexyl)acetyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1-hydroxycyclohexyl)acetyl-CoA
ChEBI ID CHEBI:15448
Definition A 3-hydroxyacyl-CoA having (1-hydroxycyclohexyl)acetyl as the S-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:140, CHEBI:10819, CHEBI:18506
Supplier Information
Download Molfile XML SDF
Formula C29H48N7O18P3S
Net Charge 0
Average Mass 907.71508
Monoisotopic Mass 907.19894
InChI InChI=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)/t17-,21-,22-,23+,27-/m1/s1
InChIKey PWNCFVRYBIYOCK-SVHODSNWSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC1(O)CCCCC1
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (1-hydroxycyclohexyl)acetyl-CoA (CHEBI:15448) has functional parent (1-hydroxycyclohexyl)acetic acid (CHEBI:37276)
(1-hydroxycyclohexyl)acetyl-CoA (CHEBI:15448) has functional parent coenzyme A (CHEBI:15346)
(1-hydroxycyclohexyl)acetyl-CoA (CHEBI:15448) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(1-hydroxycyclohexyl)acetyl-CoA (CHEBI:15448) is conjugate acid of (1-hydroxycyclohexyl)acetyl-CoA(4−) (CHEBI:57311)
Incoming (1-hydroxycyclohexyl)acetyl-CoA(4−) (CHEBI:57311) is conjugate base of (1-hydroxycyclohexyl)acetyl-CoA (CHEBI:15448)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(1-hydroxycyclohexyl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym Source
(1-Hydroxycyclohexan-1-yl)acetyl-CoA KEGG COMPOUND
Manual Xref Database
C04316 KEGG COMPOUND
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Last Modified
04 August 2014