MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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FMN

	Properties	Image
MNX_ID	MNXM1364148
reference	chebi:58210
formula	C₁₇H₁₈N₄O₉P
global charge	-3
mol weight	453.324
InChIKey	ANKZYBDXHMZBDK-SCRDCRAPSA-K
InChI	InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H3,20,25,26,27,28,29)/p-3/t11-,12+,14-/m0/s1
SMILES	CC1=C(C)C=C2C(=C1)N=C1C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]

MNX internals

InChI (mnx)	InChI=1/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H3,20,25,26,27,28,29)/t11-,12+,14-/m0/s1
SMILES (mnx)	[CH3:1][C:7]1=[CH:3][C:9]2=[C:10]([CH:4]=[C:8]1[CH3:2])[N+:21]([CH2:5][C@@H:11]([C@@H:14]([C@@H:12]([CH2:6][O:30][P:31]([OH:27])(=[O:28])[OH:29])[OH:23])[OH:24])[OH:22])=[C:15]1[C:13](=[N:18]2)[C:16]([O-:25])=[N:20][C:17](=[O:26])[NH:19]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	69
in models (compartimentalized)	23

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-1131104 reactomeM:R-ALL-1131104 reactome:R-ALL-389864 reactomeM:R-ALL-389864 reactome:R-ALL-73524 reactomeM:R-ALL-73524 reactome:R-ALL-76629 reactomeM:R-ALL-76629 reactome:R-ALL-9864491 reactomeM:R-ALL-9864491 CHEBI:58210 chebi:58210 ANKZYBDXHMZBDK-SCRDCRAPSA-K	FMN 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-5-O-phosphonato-D-ribitol 7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-(phosphonatooxy)pentyl]-2H,3H,4H,10H-benzo[g]pteridin-3-ide FMN trianion FMN(3-) flavin mononucleotide trianion flavin mononucleotide(3-) riboflavin 5'-monophosphate trianion riboflavin 5'-monophosphate(3-) riboflavin 5'-phosphate trianion riboflavin 5'-phosphate(3-)
metacyc.compound:FMN metacycM:FMN ANKZYBDXHMZBDK-SCRDCRAPSA-K	FMN flavin mononucleotide riboflavin 5'-monophosphate riboflavin 5'-phosphate
metacyc.compound:Ox-FMN-Flavoproteins metacycM:Ox-FMN-Flavoproteins ANKZYBDXHMZBDK-SCRDCRAPSA-K	Ox-FMN-Flavoproteins an oxidized flavoprotein (FMN) flavoprotein (FMN) oxidized flavoprotein (FMN)