CHEBI:15506 - 7-methyl-3-oxooctanoyl-CoA

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ChEBI Name 7-methyl-3-oxooctanoyl-CoA
ChEBI ID CHEBI:15506
Definition An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 7-methyl-3-oxooctanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12258, CHEBI:2272, CHEBI:20792
Supplier Information
Download Molfile XML SDF
Formula C30H50N7O18P3S
Net Charge 0
Average Mass 921.74166
Monoisotopic Mass 921.21459
InChI InChI=1S/C30H50N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h15-17,19,23-25,29,41-42H,5-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/m1/s1
InChIKey VAMSVBPIVXQTFY-FUEUKBNZSA-N
SMILES CC(C)CCCC(=O)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 7-methyl-3-oxooctanoyl-CoA (CHEBI:15506) has functional parent 7-methyl-3-oxooctanoic acid (CHEBI:37107)
7-methyl-3-oxooctanoyl-CoA (CHEBI:15506) has functional parent octanoyl-CoA (CHEBI:15533)
7-methyl-3-oxooctanoyl-CoA (CHEBI:15506) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
7-methyl-3-oxooctanoyl-CoA (CHEBI:15506) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(7-methyl-3-oxooctanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-keto-7-methyloctanoyl-CoA ChEBI
3-keto-7-methyloctanoyl-coenzyme A ChEBI
7-Methyl-3-oxooctanoyl-CoA KEGG COMPOUND
7-methyl-3-oxooctanoyl-coenzyme A ChEBI
S-(7-methyl-3-oxooctanoyl)-coenzyme A ChEBI
Manual Xref Database
C03685 KEGG COMPOUND
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Last Modified
10 January 2019