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oxidized coenzyme F420-2

PropertiesImage
MNX_IDMNXM1583630 Image of MNXM1583630
referencechebi:57922
formulaC29H31N5O18P
global charge-5
mol weight768.558
InChIKeyBEUZRXRCQLIWPE-NALJQGANSA-I
InChIInChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,36-37,41H,4-7,10-11H2,1H3,(H8,30,31,32,33,35,38,39,40,42,43,44,45,46,47,48,49,50)/p-5/t12-,16-,17-,19-,20+,23-/m0/s1
SMILESC[C@H](OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[n-]c(=O)c-2cc2ccc(O)cc21)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,35-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1 Image of MNXM1583630
SMILES (mnx)[C:1]12=[CH:10][C:9](=[CH2:13])[CH2:14][C:11](=[CH2:12])[C:2]1=[CH:26][c:4]1[c:3]([cH:5][c:8]([CH3:25])[cH:7][cH:6]1)[CH:15]2[CH2:16][C@H:17]([C@H:18]([C@@H:20]([CH2:22][CH2:24][C:27]([CH2:28][C@@H:29]([N:30]([NH:31][O:44]([O:36][O:38][O:41]([O:42][P@@:53]([O:45][O:47][O:50]([OH:51])=[O:52])[O:46](=[O:48])[OH:49])=[O:43])[O:37](=[O:39])[OH:40])=[NH:32])[NH2:33])(=[NH:34])[OH:35])[CH3:23])[CH3:21])[CH3:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)52
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57922
chebi:57922
BEUZRXRCQLIWPE-NALJQGANSA-I 		oxidized coenzyme F420-2
coenzyme gamma-F420-2 penta-anion
coenzyme gamma-F420-2(5-)

sabiork.compound:2173
sabiorkM:2173
GEHSZWRGPHDXJO-NALJQGANSA-N 		Coenzyme F420

kegg.compound:C00876
keggC:C00876
GEHSZWRGPHDXJO-NALJQGANSA-N 		Coenzyme F420
Coenzyme gamma-F420-2
Oxidized coenzyme F420

seed.compound:cpd00649
seedM:cpd00649
GEHSZWRGPHDXJO-NALJQGANSA-J 		Coenzyme F420
Oxidized coenzyme F420

sabiork.compound:28444
sabiorkM:28444
GEHSZWRGPHDXJO-NALJQGANSA-N 		Coenzyme gamma-F420-2

seed.compound:cpd27710
seedM:cpd27710
GEHSZWRGPHDXJO-NALJQGANSA-J 		coenzyme F420-2
coenzyme gamma-F420-2
factor gamma-F420-2
oxidized coenzyme F420-2
oxidized factor F420-2

seed.compound:cpd15866
seedM:cpd15866
BEUZRXRCQLIWPE-NALJQGANSA-I 		coenzyme ferredoxin 420-2 (oxidized)
f420-2

CHEBI:59541
chebi:59541
GEHSZWRGPHDXJO-NALJQGANSA-J 		coenzyme gamma-F420-2(4-)
5-O-({[(2S)-1-{[(1S)-1-carboxylato-4-{[(1S)-1,3-dicarboxylatopropyl]amino}-4-oxobutyl]amino}-1-oxopropan-2-yl]oxy}phosphinato)-1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol
gamma-F420-2(4-)

CHEBI:16848
chebi:16848
GEHSZWRGPHDXJO-NALJQGANSA-N 		coenzyme gamma-F420-2
COENZYME F420
Coenzyme F420
F420
F420-2
F4202
N-(N-{O-[1-(8-hydroxy-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
N-{N-[O-(7,8-didemethyl-8-hydroxy-5-deazariboflavin phospho)-(S)-lactyl]-gamma-L-glutamyl}-L-glutamate
factor F420

metacyc.compound:OX-COENZYME-F420
metacycM:OX-COENZYME-F420
BEUZRXRCQLIWPE-NALJQGANSA-I 		oxidized factor 420-2
oxidized coenzyme F420-2

chebi:14008
chebi:14010
chebi:23351
chebi:3807
keggC:M_C00876
seedM:M_cpd00649
seedM:M_cpd15866
seedM:M_cpd27710 		secondary/obsolete/fantasy identifier