coenzyme F390-A (CHEBI:62784)

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CHEBI:62784 - coenzyme F₃₉₀-A

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ChEBI ID	CHEBI:62784
ChEBI Name	coenzyme F₃₉₀-A
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ASCII Name	coenzyme F390-A
Definition	8-OH adenylated form of the deazaflavin coenzyme F₄₂₀.
Last Modified	23 August 2011
Submitter	epurwant
Downloads	Molfile

Formula	C39H48N10O24P2
Net Charge	0
Average Mass	1102.807
Monoisotopic Mass	1102.23182
SMILES	C[C@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)nc(=O)c-2cc2ccc(OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc21)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
InChI	InChI=1S/C39H48N10O24P2/c1-15(34(58)45-20(38(62)63)4-6-25(52)44-19(37(60)61)5-7-26(53)54)72-74(65,66)69-11-23(51)28(55)22(50)10-48-21-9-17(3-2-16(21)8-18-32(48)46-39(64)47-35(18)59)73-75(67,68)70-12-24-29(56)30(57)36(71-24)49-14-43-27-31(40)41-13-42-33(27)49/h2-3,8-9,13-15,19-20,22-24,28-30,36,50-51,55-57H,4-7,10-12H2,1H3,(H,44,52)(H,45,58)(H,53,54)(H,60,61)(H,62,63)(H,65,66)(H,67,68)(H2,40,41,42)(H,47,59,64)/t15-,19-,20-,22-,23+,24+,28-,29+,30+,36+/m0/s1
InChIKey	WYXLWMBDMKFRML-CSDPJWOXSA-N

Roles Classification

Biological Role:

coenzyme A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.

ChEBI Ontology

Outgoing Relation(s)
	coenzyme F₃₉₀-A (CHEBI:62784) has functional parent 7,8-didemethyl-8-hydroxy-5-deazariboflavin (CHEBI:43034)
	coenzyme F₃₉₀-A (CHEBI:62784) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
	coenzyme F₃₉₀-A (CHEBI:62784) has role coenzyme (CHEBI:23354)
	coenzyme F₃₉₀-A (CHEBI:62784) is a pyrimidoquinolines (CHEBI:59535)
	coenzyme F₃₉₀-A (CHEBI:62784) is a ribitol phosphate (CHEBI:26554)

IUPAC Name
(3S,8S,11S,16R,17S,18S)-19-[8-{[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl]-13,16,17,18-tetrahydroxy-11-methyl-5,10-dioxo-12,14-dioxa-4,9-diaza-13-phosphanonadecane-1,3,8-tricarboxylic acid 13-oxide

Synonyms	Source
8-hydroxyadenylylated-coenzyme F₄₂₀	SUBMITTER
F₃₉₀-A	ChEBI
F390-A	ChemIDplus
N-[N-(O-{1-[8-[5'-adenylyloxy]-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinolin-10-yl]-1-deoxy-D-ribityl-5-phospho}-(S)-lactyl)-γ-L-glutamyl]-L-glutamic acid	ChEBI
Factor 390 A	ChemIDplus

Manual Xrefs	Databases
CPD-10017	MetaCyc

Registry Numbers	Sources
CAS:95617-07-5	ChemIDplus

Citations