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cibacron blue 3GA

PropertiesImage
MNX_IDMNXM46728 Image of MNXM46728
referencemetacycM:CPD-8829
formulaC29H17ClN7O11S3
global charge-3
mol weight771.147
InChIKeyYKCWQPZFAFZLBI-UHFFFAOYSA-K
InChIInChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
SMILESNC1=C(S(=O)(=O)[O-])C=C(NC2=CC(S(=O)(=O)[O-])=C(NC3=NC(Cl)=NC(NC4=CC=CC=C4S(=O)(=O)[O-])=N3)C=C2)C2=C1C(=O)C1=C(C=CC=C1)C2=O
MNX internals
InChI (mnx)InChI=1/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) Image of MNXM46728
SMILES (mnx)[CH:1]1=[CH:2][CH:6]=[C:15]2[C:14](=[CH:5]1)[C:25](=[O:38])[C:22]1=[C:18]([NH:32][C:13]3=[CH:11][C:20]([S:50]([OH:43])(=[O:44])=[O:45])=[C:17]([N:34]=[C:29]4[NH:36][C:27]([Cl:30])=[N:35][C:28](=[N:33][C:16]5=[CH:7][CH:3]=[CH:4][CH:8]=[C:19]5[S:49]([OH:40])(=[O:41])=[O:42])[NH:37]4)[CH:10]=[CH:9]3)[CH:12]=[C:21]([S:51]([OH:46])(=[O:47])=[O:48])[C:24]([NH2:31])=[C:23]1[C:26]2=[O:39]
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
IdentifierDescription

metacyc.compound:CPD-8829
metacycM:CPD-8829
YKCWQPZFAFZLBI-UHFFFAOYSA-K 		cibacron blue 3GA
cibacron blue
cibacron blue F 3GA
hmdb:HMDB0250228
YKCWQPZFAFZLBI-UHFFFAOYSA-N 		Cibacron Blue
1-Amino-4-{[4-({6-chloro-4-[(2-sulfophenyl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
1-Amino-4-{[4-({6-chloro-4-[(2-sulphophenyl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene}amino)-3-sulphophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulphonate
1-Amino-4-{[4-({6-chloro-4-[(2-sulphophenyl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene}amino)-3-sulphophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulphonic acid
1-amino-4-{[4-({4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Affi gel blue
Affi-gel blue
Basilen blue
Blue sepharose CL-6b
Cibacron blue 3g-a
Cibacron blue 3ga
Cibacron blue F 3g-a sepharose
Cibacron blue F 3ga
Cibacron blue F(3)ga
Cibacron blue F3g-a
Cibacron blue F3ga
Cibacron blue F3ga-agarose
Cibacron blue agarose
Cibacron blue sepharose
Cibacron blue-sepharose
Cibracron blue-sepharose
Procion blue H-b
Procion blue HB
Reactive blue 2
cibacron blue

seed.compound:cpd25450
seedM:cpd25450
YKCWQPZFAFZLBI-UHFFFAOYSA-K 		cibacron blue
cibacron blue 3GA
cibacron blue F 3GA

seedM:M_cpd25450 		secondary/obsolete/fantasy identifier