CHEBI:140734 - 7-methyloctanoyl-CoA

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ChEBI Name 7-methyloctanoyl-CoA
ChEBI ID CHEBI:140734
Definition A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 7-methyloctanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
Supplier Information
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Formula C30H52N7O17P3S
Net Charge 0
Average Mass 907.760
Monoisotopic Mass 907.23533
InChI InChI=1S/C30H52N7O17P3S/c1-18(2)8-6-5-7-9-21(39)58-13-12-32-20(38)10-11-33-28(42)25(41)30(3,4)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h16-19,23-25,29,40-41H,5-15H2,1-4H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25+,29-/m1/s1
InChIKey VLQMJDKLPNKZNA-FUEUKBNZSA-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(CCCCCC(C)C)=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 7-methyloctanoyl-CoA (CHEBI:140734) has functional parent 7-methyloctanoic acid (CHEBI:37108)
7-methyloctanoyl-CoA (CHEBI:140734) is a medium-chain fatty acyl-CoA (CHEBI:61907)
7-methyloctanoyl-CoA (CHEBI:140734) is conjugate acid of 7-methyloctanoyl-CoA(4−) (CHEBI:140735)
Incoming 7-methyloctanoyl-CoA(4−) (CHEBI:140735) is conjugate base of 7-methyloctanoyl-CoA (CHEBI:140734)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(7-methyloctanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
7-methylcapryloyl-CoA ChEBI
7-methylcapryloyl-coenzyme A ChEBI
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ5,5λ5-diphosphaheptadecan-17-yl} 7-methyloctanethioate IUPAC
Citation Waiting for Citations Type Source
12954074 PubMed citation Europe PMC
Last Modified
05 September 2019