3-sulfinopropionyl-CoA(5-) (CHEBI:78349)

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CHEBI:78349 - 3-sulfinopropionyl-CoA(5−)

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ChEBI ID	CHEBI:78349
ChEBI Name	3-sulfinopropionyl-CoA(5−)
Stars
ASCII Name	3-sulfinopropionyl-CoA(5-)
Definition	An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and sulfinic acid functions of 3-sulfinopropionyl-CoA. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified	16 July 2014
Submitter	KAX
Downloads	Molfile

Formula	C24H35N7O19P3S2
Net Charge	-5
Average Mass	882.630
Monoisotopic Mass	882.06694
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-]
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
InChIKey	NQBUSKKVOLGOGY-IEXPHMLFSA-I

ChEBI Ontology

Outgoing Relation(s)
	3-sulfinopropionyl-CoA(5−) (CHEBI:78349) is a acyl-CoA oxoanion (CHEBI:58946)
	3-sulfinopropionyl-CoA(5−) (CHEBI:78349) is conjugate base of 3-sulfinopropionyl-CoA (CHEBI:79221)
Incoming Relation(s)
	3-sulfinopropionyl-CoA (CHEBI:79221) is conjugate acid of 3-sulfinopropionyl-CoA(5−) (CHEBI:78349)

Synonyms	Source
3-sulfinopropanoyl-CoA(5−)	ChEBI
3-sulfinopropanoyl-coenzyme A(5−)	ChEBI
3-sulfinopropionyl-coenzyme A(5−)	ChEBI

UniProt Name	Source
3-sulfinopropanoyl-CoA	UniProt

Manual Xrefs	Databases
CPD-16582	MetaCyc

Citations