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3-sulfinopropanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM146109

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₄H₃₅N₇O₁₉P₃S₂

charge

-5

mass

882.06694

reference

chebi:78349

InChIKey

NQBUSKKVOLGOGY-IEXPHMLFSA-I

InChI

InChI=1S/C24H40N7O19P3S2/c1-24(2,19(35)22(36)27-5-3-14(32)26-6-7-54-15(33)4-8-55(44)45)10-47-53(42,43)50-52(40,41)46-9-13-18(49-51(37,38)39)17(34)23(48-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,3-10H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H,44,45)(H2,25,28,29)(H2,37,38,39)/p-5/t13-,17-,18-,19+,23-/m1/s1

SMILES

CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCS(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78349 chebi:78349	3-sulfinopropanoyl-CoA 3-sulfinopropanoyl-CoA(5-) 3-sulfinopropanoyl-coenzyme A(5-) 3-sulfinopropionyl-CoA(5-) 3-sulfinopropionyl-coenzyme A(5-)
kegg.compound:C20987 keggC:C20987	3-Sulfinopropanoyl-CoA
metacyc.compound:CPD-16582 metacycM:CPD-16582 seed.compound:cpd35008 seedM:cpd35008	3-sulfinopropanoyl-CoA 3-sulfinopropionyl coenzyme A 3-sulfinopropionyl-CoA
CHEBI:79221 chebi:79221	3-sulfinopropionyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(3-sulfinopropanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) 3-sulfinopropanoyl-CoA 3-sulfinopropanoyl-coenzyme A 3-sulfinopropionyl-coenzyme A
keggC:M_C20987 seedM:M_cpd35008	secondary/obsolete/fantasy identifier