CHEBI:88007 - 3-oxooleoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxooleoyl-CoA
ChEBI ID CHEBI:88007
Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxooleic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C39H66N7O18P3S
Net Charge 0
Average Mass 1045.966
Monoisotopic Mass 1045.33979
InChI InChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h11-12,25-26,28,32-34,38,50-51H,4-10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b12-11-/t28-,32-,33-,34+,38-/m1/s1
InChIKey AVEYYKDEKGJVBU-BPMMELMSSA-N
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC(CCCCC/C=C\CCCCCCCC)=O)=O)=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 3-oxooleoyl-CoA (CHEBI:88007) has functional parent oleic acid (CHEBI:16196)
3-oxooleoyl-CoA (CHEBI:88007) is a long-chain 3-oxo-fatty acyl-CoA (CHEBI:137599)
3-oxooleoyl-CoA (CHEBI:88007) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
3-oxooleoyl-CoA (CHEBI:88007) is conjugate acid of 3-oxooleoyl-CoA(4−) (CHEBI:87695)
Incoming 3-oxooleoyl-CoA(4−) (CHEBI:87695) is conjugate base of 3-oxooleoyl-CoA (CHEBI:88007)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(9Z)-3-oxooctadecan-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(9Z)-3-oxooctadecenoyl-CoA ChEBI
(9Z)-3-oxooctadecenoyl-coenzyme A ChEBI
3-oxooleoyl-coenzyme A ChEBI
Last Modified
05 February 2018