coenzyme alpha-F420-3 (Q27126770)

(3S,8S,13S,16S,21R,22S,23S)-18,21,22,23-Tetrahydroxy-24-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-16-methyl-5,10,15-trioxo-17,19-dioxa-4,9,14-triaza-18-phosphatetracosane-1,3, (English)

retrieved

19 October 2016

chemical formula

C₃₄H₄₃N₆O₂₁P

1 reference

stated in

RCSB protein data bank

PDB ligand ID

6J4

language of work or name

English

retrieved

16 February 2021

canonical SMILES

CC(C(=NC(CCC(=NC(CCC(=NC(CCC(=O)O)(C(=O)O)[H])O)(C(=O)O)[H])O)(C(=O)O)[H])O)(OP(O)(=O)OCC(C(C(CN1C=2C=C(C=CC2C=C3C1=NC(N=C3O)=O)O)(O)[H])(O)[H])(O)[H])[H]

1 reference

language of work or name

English

title

coenzyme alpha-F420-3 (English)

retrieved

19 October 2016

isomeric SMILES

C[C@@](C(=N[C@@](CCC(=N[C@@](CCC(=N[C@@](CCC(=O)O)(C(=O)O)[H])O)(C(=O)O)[H])O)(C(=O)O)[H])O)(OP(O)(=O)OC[C@]([C@]([C@](CN1C=2C=C(C=CC2C=C3C1=NC(N=C3O)=O)O)(O)[H])(O)[H])(O)[H])[H]

1 reference

language of work or name

English

title

coenzyme alpha-F420-3 (English)

retrieved

19 October 2016

Identifiers

InChI

InChI=1S/C34H43N6O21P/c1-14(29(49)37-20(33(55)56)5-8-25(45)35-18(31(51)52)4-7-24(44)36-19(32(53)54)6-9-26(46)47)61-62(58,59)60-13-23(43)27(48)22(42)12-40-21-11-16(41)3-2-15(21)10-17-28(40)38-34(57)39-30(17)50/h2-3,10-11,14,18-20,22-23,27,41-43,48H,4-9,12-13H2,1H3,(H,35,45)(H,36,44)(H,37,49)(H,46,47)(H,51,52)(H,53,54)(H,55,56)(H,58,59)(H,39,50,57)/t14-,18-,19-,20-,22-,23+,27-/m0/s1

1 reference

language of work or name

English

title

coenzyme alpha-F420-3 (English)

retrieved

19 October 2016

InChIKey

YHDAXCLOUDHUAA-LROHGRLLSA-N

2 references

language of work or name

English

title

coenzyme alpha-F420-3 (English)

retrieved

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

coenzyme alpha-F420-3 (English)

19 October 2016

1 reference

language of work or name

English

title

(3S,8S,13S,16S,21R,22S,23S)-18,21,22,23-Tetrahydroxy-24-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-16-methyl-5,10,15-trioxo-17,19-dioxa-4,9,14-triaza-18-phosphatetracosane-1,3, (English)

retrieved

19 October 2016

ChEBI ID

59537

mapping relation type

2 references

language of work or name