CHEBI:132269 - (3E)-octenoyl-CoA

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ChEBI Name (3E)-octenoyl-CoA
ChEBI ID CHEBI:132269
ChEBI ASCII Name (3E)-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 (3E)-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 891.717
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-WQIYAIRVSA-N
SMILES [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C/C=C/CCCC)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O
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 (3E)-octenoyl-CoA (CHEBI:132269) is a medium-chain fatty acyl-CoA (CHEBI:61907)
(3E)-octenoyl-CoA (CHEBI:132269) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(3E)-octenoyl-CoA (CHEBI:132269) is conjugate acid of (3E)-octenoyl-CoA(4−) (CHEBI:131962)
Incoming (3E)-octenoyl-CoA(4−) (CHEBI:131962) is conjugate base of (3E)-octenoyl-CoA (CHEBI:132269)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(3E)-oct-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(3E)-octenoyl-coenzyme A ChEBI
trans-3-octenoyl-CoA ChEBI
trans-oct-3-enoyl-CoA ChEBI
trans-oct-3-enoyl-coenzyme A ChEBI
Registry Number Type Source
11165745 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11781327 PubMed citation Europe PMC
2177462 PubMed citation Europe PMC
3651405 PubMed citation Europe PMC
8845370 PubMed citation Europe PMC
Last Modified
05 February 2018