P(1),P(4)-bis(5'-adenosyl) tetraphosphate(4-) (CHEBI:58141)

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CHEBI:58141 - P¹,P⁴-bis(5'-adenosyl) tetraphosphate(4−)

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ChEBI ID	CHEBI:58141
ChEBI Name	P¹,P⁴-bis(5'-adenosyl) tetraphosphate(4−)
Stars
ASCII Name	P(1),P(4)-bis(5'-adenosyl) tetraphosphate(4-)
Definition	Tetraanion of P¹,P⁴-bis(5'-adenosyl) tetraphosphate arising from deprotonation of the tetraphosphate OH groups; major species at pH 7.3.
Last Modified	17 March 2019
Downloads	Molfile

Formula	C20H24N10O19P4
Net Charge	-4
Average Mass	832.359
Monoisotopic Mass	832.01916
SMILES	Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChI	InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKey	YOAHKNVSNCMZGQ-XPWFQUROSA-J

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932)	-	PubMed (24678285)	Source: yeast.sf.net

Roles Classification

Biological Roles:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

ChEBI Ontology

Outgoing Relation(s)
	P¹,P⁴-bis(5'-adenosyl) tetraphosphate(4−) (CHEBI:58141) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	P¹,P⁴-bis(5'-adenosyl) tetraphosphate(4−) (CHEBI:58141) has role human metabolite (CHEBI:77746)
	P¹,P⁴-bis(5'-adenosyl) tetraphosphate(4−) (CHEBI:58141) is a organophosphate oxoanion (CHEBI:58945)
	P¹,P⁴-bis(5'-adenosyl) tetraphosphate(4−) (CHEBI:58141) is conjugate base of P¹,P⁴-bis(5'-adenosyl) tetraphosphate (CHEBI:17422)
Incoming Relation(s)
Incoming Relation(s)	P¹,P⁴-bis(5'-adenosyl) tetraphosphate (CHEBI:17422) is conjugate acid of P¹,P⁴-bis(5'-adenosyl) tetraphosphate(4−) (CHEBI:58141)

Synonyms	Source
P¹,P⁴-bis(5'-adenosyl) tetraphosphate	ChEBI
P¹,P⁴-bis(5'-adenosyl) tetraphosphate tetraanion	ChEBI

UniProt Name	Source
P¹,P⁴-bis(5'-adenosyl) tetraphosphate	UniProt

Registry Numbers	Sources
Reaxys:7459962	Reaxys