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sulfoacetyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM4833

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₃H₃₃N₇O₂₀P₃S₂

charge

-5

mass

884.04621

reference

chebi:61994

InChIKey

LFBBBBRKKCUFRH-GRFIIANRSA-I

InChI

InChI=1S/C23H38N7O20P3S2/c1-23(2,18(34)21(35)26-4-3-13(31)25-5-6-54-14(32)8-55(43,44)45)9-47-53(41,42)50-52(39,40)46-7-12-17(49-51(36,37)38)16(33)22(48-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,33-34H,3-9H2,1-2H3,(H,25,31)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)(H,43,44,45)/p-5/t12-,16-,17-,18+,22-/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)CS(=O)(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61994 chebi:61994	sulfoacetyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(sulfonatoacetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate) sulfoacetyl-CoA pentaanion sulfoacetyl-CoA(5-) sulfoacetyl-coenzyme-A sulfoacetyl-coenzyme-A pentaanion
kegg.compound:C19685 keggC:C19685	Sulfoacetyl-CoA
seed.compound:cpd20933 seedM:cpd20933	Sulfoacetyl-CoA sulfoacetyl-CoA sulfoacetyl-coenzyme-A
CHEBI:61992 chebi:61992 lipidmaps:LMFA07050371 lipidmapsM:LMFA07050371	sulfoacetyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(sulfoacetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) sulfoacetyl-coenzyme-A
metacyc.compound:CPD-12645 metacycM:CPD-12645	sulfoacetyl-CoA sulfoacetyl-coenzyme-A
keggC:M_C19685 seedM:M_cpd20933	secondary/obsolete/fantasy identifier