CHEBI:84183 - 3-methylundecanoyl-CoA(4−)

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ChEBI Name 3-methylundecanoyl-CoA(4−) ChEBI ID CHEBI:84183 ChEBI ASCII Name 3-methylundecanoyl-CoA(4-) Definition A 3-methyl fatty acyl-CoA(4−) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-methylundecanoyl-CoA; major species at pH 7.3 Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H54N7O17P3S Net Charge -4 Average Mass 945.80700 Monoisotopic Mass 945.25317 InChI InChI=1S/C33H58N7O17P3S/c1-5-6-7-8-9-10-11-21(2)16-24(42)61-15-14-35-23(41)12-13-36-31(45)28(44)33(3,4)18-54-60(51,52)57-59(49,50)53-17-22-27(56-58(46,47)48)26(43)32(55-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,43-44H,5-18H2,1-4H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/t21?,22-,26-,27-,28+,32-/m1/s1 InChIKey CEPVHZBZPCWHJZ-XIRPNGCASA-J SMILES CCCCCCCCC(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 ChEBI Ontology Outgoing 3-methylundecanoyl-CoA(4−) (CHEBI:84183) is a 3-methyl fatty acyl-CoA(4−) (CHEBI:83968) 3-methylundecanoyl-CoA(4−) (CHEBI:84183) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546) 3-methylundecanoyl-CoA(4−) (CHEBI:84183) is a saturated fatty acyl-CoA(4−) (CHEBI:77332) 3-methylundecanoyl-CoA(4−) (CHEBI:84183) is conjugate base of 3-methylundecanoyl-CoA (CHEBI:85075) Incoming 2-hydroxy-3-methylundecanoyl-CoA(4−) (CHEBI:138632) has functional parent 3-methylundecanoyl-CoA(4−) (CHEBI:84183) 3-methylundecanoyl-CoA (CHEBI:85075) is conjugate acid of 3-methylundecanoyl-CoA(4−) (CHEBI:84183) Synonym Source 3-methylundecanoyl-CoA UniProt Citation Type Source 15984864 PubMed citation SUBMITTER Last Modified 09 December 2015