CHEBI:85939 - cis-3-octenoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cis-3-octenoyl-CoA
ChEBI ID CHEBI:85939
ChEBI ASCII Name cis-3-octenoyl-CoA
Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cis-3-octenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H48N7O17P3S
Net Charge 0
Average Mass 891.71400
Monoisotopic Mass 891.20403
InChI InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h7-8,16-18,22-24,28,39-40H,4-6,9-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b8-7-/t18-,22-,23-,24+,28-/m1/s1
InChIKey CSCVMTFVEARIET-IJKSGAABSA-N
SMILES CCCC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
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 cis-3-octenoyl-CoA (CHEBI:85939) is a medium-chain fatty acyl-CoA (CHEBI:61907)
cis-3-octenoyl-CoA (CHEBI:85939) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
cis-3-octenoyl-CoA (CHEBI:85939) is conjugate acid of cis-3-octenoyl-CoA(4−) (CHEBI:85640)
Incoming cis-3-octenoyl-CoA(4−) (CHEBI:85640) is conjugate base of cis-3-octenoyl-CoA (CHEBI:85939)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(3Z)-oct-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(3Z)-octenoyl-CoA ChEBI
(3Z)-octenoyl-coenzyme A ChEBI
(Z)-oct-3-enoyl-CoA ChEBI
(Z)-oct-3-enoyl-coenzyme A ChEBI
cis-3-octenoyl-coenzyme A ChEBI
cis-oct-3-enoyl-CoA ChEBI
cis-oct-3-enoyl-coenzyme A ChEBI
Registry Number Type Source
11165741 Reaxys Registry Number Reaxys
Last Modified
05 February 2018