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

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Azorubine

	Properties	Image
MNX_ID	MNXM45686
reference	hmdb:HMDB0036795
formula	C₂₀H₁₄N₂O₇S₂
global charge	0
mol weight	458.473
InChIKey	TVWOWDDBXAFQDG-DQRAZIAOSA-N
InChI	InChI=1S/C20H14N2O7S2/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16/h1-11,23H,(H,24,25,26)(H,27,28,29)/b22-21-
SMILES	O=S(=O)(O)C1=CC=C(/N=N\C2=C(O)C3=CC=CC=C3C(S(=O)(=O)O)=C2)C2=CC=CC=C21

MNX internals

InChI (mnx)	InChI=1/C20H14N2O7S2/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16/h1-11,23H,(H,24,25,26)(H,27,28,29)/b22-21-
SMILES (mnx)	[CH:1]1=[CH:2][CH:6]=[C:13]2[C:12](=[CH:5]1)[C:16](/[N:21]=[N:22]\[C:17]1=[C:20]([OH:23])[C:15]3=[CH:8][CH:4]=[CH:3][CH:7]=[C:14]3[C:19]([S:31]([OH:27])(=[O:28])=[O:29])=[CH:11]1)=[CH:9][CH:10]=[C:18]2[S:30]([OH:24])(=[O:25])=[O:26]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036795 TVWOWDDBXAFQDG-DQRAZIAOSA-N	Azorubine 4-Hydroxy-3-[(4-sulfO-1-naphthalenyl)azo]-1-naphthalenesulfonic acid, 9ci 4-Hydroxy-3-[(Z)-2-(4-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-1-sulfonate 4-Hydroxy-3-[(Z)-2-(4-sulphonaphthalen-1-yl)diazen-1-yl]naphthalene-1-sulphonate 4-Hydroxy-3-[(Z)-2-(4-sulphonaphthalen-1-yl)diazen-1-yl]naphthalene-1-sulphonic acid 4-hydroxy-3-[(Z)-2-(4-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-1-sulfonic acid Acetacid red b Acid brilliant rubine 2GT Acid brilliant rubine 2g Acid brilliant rubine a2g CONC. Acid chrome blue 2R Acid chrome blue FBS Acid chrome blue ba Acid chrome blue ba-CF Acid fast red FB Acid red 14 Acid red 26 Acid red 2C Acid red 2S Acid rubine Acid rubine extra Airedale carmoisine Amacid carmoisine b Amacid chrome blue R Atul acid crystal red Atul crystal red F Azorubin Brasilan azo rubine 2NS Brilliant acid rubine m Brilliant carmoisine Brilliant crimson 2R.fq Brilliant crimson red Bucacid azo rubine C.I. FOOD red 3 C.I. acid red 14 C.I. acid red 14, disodium salt C.I. acid red no. 14 C.I. chromotrope FB C.I. mordant blue 79 Calcocid rubine XX Carmoisine Carmoisine BSS Carmoisine GRN Carmoisine S Carmoisine W Carmoisine WS Carmoisine aluminium lake Carmoisine aluminum lake Carmoisine ba Carmoisine ba-CF Carmoisine fu Carmoisine las Carmoisine supra Certicol carmoisine S Chrome fast blue 2R Chromotrop FB Chromotrope FB Cilefa rubine R Crimson 2EMBL Crimson embl Diadem chrome blue R Diadem chrome blue g Disodium 2-(4-sulfO-1-naphthylazo)-1-naphthol-4-sulfonate Edicol supra carmoisine W Edicol supra carmoisine WS Eniacid brilliant rubine 3b Eurocert azorubine Ext D and C red no. 10 Ext. D & C red no. 10 Extract D and C red no. 10 FOOD Red 5 Fruit red a extra yellowish geigy HD Carmoisine HD Carmoisine supra Hexacol carmoisine Hexacol carmoisine CONC. Hidacid azo rubine Hispacid rubine F Java rubine N Karmesin Kenachrome blue 2R Kiton crimson 2R Kiton rubine R Lighthouse chrome blue 2R Lissamine red W Nacarat Nacarat a export Nacarat extra pure a Neklacid azorubine W Neklacid rubine W Nylomine acid red P4b Pontacyl rubine R Solar rubine Solochrome blue FB Solochrome brilliant blue Standacol carmoisine Tertracid red ca Tertrochrome blue FB azo Rubin S azo Rubin XX azo Rubin extra azo Rubine azo Rubine (biological stain) azo Rubine LZ azo Rubine S specially pure azo Rubine XX azo Rubine af azo Rubine extra LC azo Rubine for FOOD e122 erio Rubine b fenazo Red c
hmdb:HMDB36795	secondary/obsolete/fantasy identifier