CHEBI:82815 - 3-(methylthio)propanoyl-CoA(4−)

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ChEBI Name 3-(methylthio)propanoyl-CoA(4−)
ChEBI ID CHEBI:82815
ChEBI ASCII Name 3-(methylthio)propanoyl-CoA(4-)
Definition An acyl-CoA(4−) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-(methylthio)propanoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
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Formula C25H38N7O17P3S2
Net Charge -4
Average Mass 865.65900
Monoisotopic Mass 865.10004
InChI InChI=1S/C25H42N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,18-,19-,20+,24-/m1/s1
InChIKey SIEFLYWJLBNLAM-CITAKDKDSA-J
SMILES CSCCC(=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-(methylthio)propanoyl-CoA(4−) (CHEBI:82815) is a acyl-CoA(4−) (CHEBI:58342)
3-(methylthio)propanoyl-CoA(4−) (CHEBI:82815) is conjugate base of 3-(methylthio)propanoyl-CoA (CHEBI:83579)
Incoming 3-(methylthio)propanoyl-CoA (CHEBI:83579) is conjugate acid of 3-(methylthio)propanoyl-CoA(4−) (CHEBI:82815)
Synonym Source
3-(methylsulfanyl)propanoyl-CoA UniProt
Manual Xref Database
CPD-13546 MetaCyc
View more database links
Citations
Reisch CR, Stoudemayer MJ, Varaljay VA, Amster IJ, Moran MA, Whitman WB (2011)
Novel pathway for assimilation of dimethylsulphoniopropionate widespread in marine bacteria.
Nature 473, 208-211 (Source: SUBMITTER) [PubMed:21562561]
[show Abstract]
Last Modified
16 May 2017