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tetracycline

PropertiesImage
MNX_IDMNXM97613 Image of MNXM97613
referencechebi:77932
formulaC22H24N2O8
global charge0
mol weight444.44
InChIKeyOFVLGDICTFRJMM-WESIUVDSSA-N
InChIInChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1
SMILESC[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(C=CC=C4O)[C@@](C)(O)[C@H]3C[C@@H]12
MNX internals
InChI (mnx)InChI=1/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 Image of MNXM97613
SMILES (mnx)[CH3:1][C@@:21]1([OH:31])[C:8]2=[C:12]([C:11]([OH:25])=[CH:6][CH:4]=[CH:5]2)[C:16](=[O:26])[C:13]2=[C:18]([OH:28])[C@@:22]3([OH:32])[C@@H:10]([CH2:7][C@@H:9]21)[C@H:15]([N:24]([CH3:2])[CH3:3])[C:17]([OH:27])=[C:14]([C:20](=[NH:23])[OH:30])[C:19]3=[O:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77932
chebi:77932
OFVLGDICTFRJMM-WESIUVDSSA-N 		tetracycline
(1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
tetracycline zwitterion

bigg.metabolite:ttrcyc
biggM:ttrcyc
kegg.compound:C06570
keggC:C06570
OFVLGDICTFRJMM-WESIUVDSSA-N 		Tetracycline

kegg.drug:D00201
keggD:D00201
OFVLGDICTFRJMM-WESIUVDSSA-N 		Tetracycline (JAN/USP/INN)
Sumycin (TN)
hmdb:HMDB0014897
OFVLGDICTFRJMM-WESIUVDSSA-N 		Tetracycline
(4S,4AS,5as,12as)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Abramycin
Achromycin
Anhydrotetracycline
Deschlorobiomycin
Liquamycin
Sumycin
TC
Tetracyclin
Tetracycline HCL
Tetracyclinum
Tetrazyklin
Tsiklomitsin
tetracycline

seed.compound:cpd03977
seedM:cpd03977
OFVLGDICTFRJMM-WESIUVDSSA-N 		Tetracycline
tetracycline

metacyc.compound:CPD0-1414
metacycM:CPD0-1414
OFVLGDICTFRJMM-WESIUVDSSA-N 		tetracycline

CHEBI:71392
chebi:71392
OFVLGDICTFRJMM-WESIUVDSSA-M 		tetracycline(1-)
(1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11-trihydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate
tetracycline anion

CHEBI:27902
chebi:27902
OFVLGDICTFRJMM-WESIUVDSSA-N 		tetracycline
(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Abramycin
Achromycin
Anhydrotetracycline
Deschlorobiomycin
Liquamycin
TETRACYCLINE
Tetracyclin
Tetracycline
Tetrazyklin
Tsiklomitsin
tetracyclinum

hmdb:HMDB14897
chebi:26894
chebi:45729
chebi:9474
biggM:M_ttrcyc
keggC:M_C06570
keggD:M_D00201
seedM:M_cpd03977 		secondary/obsolete/fantasy identifier