(Q27132173)

English

coenzyme F390-A

chemical compound

Factor 390 A
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)-gamma-L-glutamyl]-L-glutamic acid
F390-A
8-hydroxyadenylylated-coenzyme F420

In more languages

Statements

group of stereoisomers

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chemical compound

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1,102.231816±0 dalton

1 reference

language of work or name

Factor 390 A (English)

7 October 2016

chemical formula

C₃₉H₄₈N₁₀O₂₄P₂

1 reference

language of work or name

Factor 390 A (English)

7 October 2016

canonical SMILES

CC(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1C2=C(C=CC(=C2)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)C=C6C1=NC(=O)NC6=O)O)O)O

1 reference

language of work or name

Factor 390 A (English)

7 October 2016

isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1C2=C(C=CC(=C2)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)C=C6C1=NC(=O)NC6=O)O)O)O

1 reference

language of work or name

Factor 390 A (English)

7 October 2016

Identifiers

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

1 reference

based on heuristic

inferred from SMILES

WYXLWMBDMKFRML-CSDPJWOXSA-N

2 references

language of work or name

Factor 390 A (English)

7 October 2016

ChEBI release 2020-09-01

CAS Registry Number

1 reference

language of work or name

coenzyme F390-A (English)

7 October 2016

1 reference

language of work or name

(3S,8S,11S,16R,17S,18S)-19-[8-{[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl]-13, (English)

7 October 2016

2 references

language of work or name

Factor 390 A (English)

7 October 2016

matched by identifier from

WYXLWMBDMKFRML-CSDPJWOXSA-N

mapping relation type

2 references

language of work or name

coenzyme F390-A (English)

7 October 2016

matched by identifier from

International Chemical Identifier

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

UniChem compound ID

1 reference

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