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1,5-dihydrocoenzyme F420

PropertiesImage
MNX_IDMNXM1370084 Image of MNXM1370084
referencechebi:15823
formulaC29H38N5O18P
global charge0
mol weight775.614
InChIKeyIXPYGZIWHPPILV-NALJQGANSA-N
InChIInChI=1S/C29H38N5O18P/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/h2-3,9,12,16-17,19-20,23,35-37,41H,4-8,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1
SMILESC[C@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C2=C(C=CC(O)=C2)CC2=C1NC(=O)NC2=O)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/C29H38N5O18P/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/h2-3,9,12,16-17,19-20,23,35-37,41H,4-8,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1 Image of MNXM1370084
SMILES (mnx)[CH3:1][C@@H:12]([C:25](=[N:31][C@@H:17]([CH2:4][CH2:6][C:21](=[N:30][C@@H:16]([CH2:5][CH2:7][C:22](=[O:39])[OH:40])[C:27](=[O:44])[OH:45])[OH:38])[C:28](=[O:46])[OH:47])[OH:42])[O:52][P:53]([OH:49])(=[O:50])[O:51][CH2:11][C@H:20]([C@H:23]([C@H:19]([CH2:10][N:34]1[C:18]2=[C:13]([CH:2]=[CH:3][C:14]([OH:35])=[CH:9]2)[CH2:8][C:15]2=[C:24]1[N:32]=[C:29]([OH:48])[N:33]=[C:26]2[OH:43])[OH:36])[OH:41])[OH:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15823
chebi:15823
IXPYGZIWHPPILV-NALJQGANSA-N 		1,5-dihydrocoenzyme F420
N-(N-{O-[5-(8-hydroxy-2,4-dioxo-1,2,3,4,5,10-hexahydropyrimido[4,5-b]quinolin-10-yl)-5-deoxy-L-ribityl-1-phospho]-(S)-lactyl}-gamma-L-glutamyl)-L-glutamic acid
N-{N-[O-(7,8-didemethyl-8-hydroxy-1,5-dihydro-5-deazariboflavin phospho)-(S)-lactyl]-gamma-L-glutamyl}-L-glutamate
Reduced coenzyme F420

sabiork.compound:2241
sabiorkM:2241
kegg.compound:C01080
keggC:C01080
vmhM:coF240h
vmhM:coF240h
vmhmetabolite:coF240h
vmhmetabolite:coF240h
IXPYGZIWHPPILV-NALJQGANSA-N 		Reduced coenzyme F420

CHEBI:57530
chebi:57530
IXPYGZIWHPPILV-NALJQGANSA-J 		reduced coenzyme F420
1,5-dihydrocoenzyme F420 tetracation
1,5-dihydrocoenzyme F420(4-)

metacyc.compound:RED-COENZYME-F420
metacycM:RED-COENZYME-F420
IXPYGZIWHPPILV-NALJQGANSA-J 		reduced factor 420-2
reduced coenzyme F420-2

chebi:15020
chebi:15021
chebi:26524
chebi:8788
keggC:M_C01080
vmhM:M_coF240h 		secondary/obsolete/fantasy identifier