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reactive black 5

MNXM149183 is deprecated and here replaced by MNXM729246
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM729246 Image of MNXM729246
referencechebi:53734
formulaC26H21N5O19S6
global charge-4
mol weight899.872
InChIKeyOTKRGWXWWWNPKU-FUEWEDNTSA-J
InChIInChI=1S/C26H25N5O19S6/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/p-4/b30-28+,31-29+
SMILESNC1=C2C(=CC(S(=O)(=O)[O-])=C1/N=N/C1=CC=C(S(=O)(=O)CCOS(=O)(=O)[O-])C=C1)C=C(S(=O)(=O)[O-])C(/N=N/C1=CC=C(S(=O)(=O)CCOS(=O)(=O)[O-])C=C1)=C2O
MNX internals
InChI (mnx)InChI=1/C26H25N5O19S6/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/b30-28+,31-29+ Image of MNXM729246
SMILES (mnx)[CH:1]1=[CH:5][C:18]([S:51]([CH2:11][CH2:9][O:49][S:55]([OH:43])(=[O:44])=[O:45])(=[O:33])=[O:34])=[CH:6][CH:2]=[C:16]1/[N:28]=[N:30]/[C:24]1=[C:20]([S:53]([OH:37])(=[O:38])=[O:39])[CH:13]=[C:15]2[CH:14]=[C:21]([S:54]([OH:40])(=[O:41])=[O:42])[C:25](/[N:31]=[N:29]/[C:17]3=[CH:4][CH:8]=[C:19]([S:52]([CH2:12][CH2:10][O:50][S:56]([OH:46])(=[O:47])=[O:48])(=[O:35])=[O:36])[CH:7]=[CH:3]3)=[C:26]([OH:32])[C:22]2=[C:23]1[NH2:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:53734
chebi:53734
OTKRGWXWWWNPKU-FUEWEDNTSA-J 		reactive black 5
4-amino-5-hydroxy-3,6-bis[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate
remazole black-GR (4-)

seed.compound:cpd14724
seedM:cpd14724
OTKRGWXWWWNPKU-FUEWEDNTSA-J 		Oxidized reactive black 5
oxidized reactive black 5

metacyc.compound:CPD-10475
metacycM:CPD-10475
OTKRGWXWWWNPKU-FUEWEDNTSA-J 		oxidized reactive black 5

seedM:M_cpd14724 		secondary/obsolete/fantasy identifier