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3-(methylsulfanyl)propanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM10065

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₂₅H₃₈N₇O₁₇P₃S₂

charge

-4

mass

865.10004

reference

chebi:82815

InChIKey

SIEFLYWJLBNLAM-CITAKDKDSA-J

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

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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:82815 chebi:82815	3-(methylsulfanyl)propanoyl-CoA 3-(methylthio)propanoyl-CoA(4-)
kegg.compound:C20870 keggC:C20870	3-(Methylthio)propanoyl-CoA 3-(Methylsulfanyl)propanoyl-CoA
metacyc.compound:CPD-13546 metacycM:CPD-13546	3-(methylsulfanyl)propanoyl-CoA 3-(methylthio)propionyl-CoA 3-S-methylthiopropionyl-CoA 3-methylmercaptopropanoyl-CoA 3-methylmercaptopropionyl-CoA MMPA-CoA
CHEBI:83579 chebi:83579	3-(methylthio)propanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[3-(methylsulfanyl)propanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} 3-(methylthio)propanoyl-coenzyme A
sabiork.compound:23240 sabiorkM:23240	3-Methylthiopropanoyl-CoA
seed.compound:cpd23929 seedM:cpd23929	3-S-methylthiopropionyl-CoA 3-(methylsulfanyl)propanoyl-CoA 3-(methylthio)propionyl-CoA 3-methylmercaptopropanoyl-CoA 3-methylmercaptopropionyl-CoA MMPA-CoA
keggC:M_C20870 seedM:M_cpd23929	secondary/obsolete/fantasy identifier