succinyl-CoA sodium salt (CHEBI:233981)

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CHEBI:233981 - succinyl-CoA sodium salt

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ChEBI ID	CHEBI:233981
ChEBI Name	succinyl-CoA sodium salt
Stars
Submitter	FlyBase
Downloads	Molfile

Formula	C25H38N7O19P3S
Net Charge	-2
Average Mass	865.598
Monoisotopic Mass	865.11670
SMILES	[H]C(O)(/C(O)=N/CC/C([O-])=N/CCSC(=O)CCC(=O)[O-])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@]1([H])O[C@@]([H])(n2cnc3c(N)ncnc32)[C@]([H])(O)[C@]1([H])OP(=O)(O)O
InChI	InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-2/t13-,18-,19-,20?,24-/m1/s1
InChIKey	VNOYUJKHFWYWIR-FZEDXVDRSA-L

ChEBI Ontology

Outgoing Relation(s)
	succinyl-CoA sodium salt (CHEBI:233981) has functional parent coenzyme A (CHEBI:15346)
	succinyl-CoA sodium salt (CHEBI:233981) is a organic molecular entity (CHEBI:50860)

IUPAC Name
4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxobutanoate

Registry Numbers	Sources
CAS:108347-97-3	SUBMITTER

Citations