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7-chlorotetracycline

PropertiesImage
MNX_IDMNXM46525 Image of MNXM46525
referencechebi:133598
formulaC22H22ClN2O8
global charge-1
mol weight477.877
InChIKeyCYDMQBQPVICBEU-XRNKAMNCSA-M
InChIInChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p-1/t7-,8-,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([O-])C=CC(Cl)=C4[C@@](C)(O)[C@H]3C[C@@H]12
MNX internals
InChI (mnx)InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1 Image of MNXM46525
SMILES (mnx)[CH3:1][C@:21]1([OH:32])[C@H:7]2[CH2:6][C@H:8]3[C@H:15]([N:25]([CH3:2])[CH3:3])[C:17]([OH:28])=[C:13]([C:20](=[NH:24])[OH:31])[C:19](=[O:30])[C@@:22]3([OH:33])[C:18]([OH:29])=[C:11]2[C:16](=[O:27])[C:12]2=[C:10]([OH:26])[CH:5]=[CH:4][C:9]([Cl:23])=[C:14]21
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133598
chebi:133598
CYDMQBQPVICBEU-XRNKAMNCSA-M 		7-chlorotetracycline
(5S,5aS,6aS,7S,10aS)-9-carbamoyl-4-chloro-7-(dimethylazaniumyl)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate)
chlortetracycline(1-)

metacyc.compound:CPD-19258
metacycM:CPD-19258
CYDMQBQPVICBEU-XRNKAMNCSA-M 		7-chlorotetracycline
aureomycin
chlorotetracycline
chlortetracycline

lipidmaps:LMPK07000004
lipidmapsM:LMPK07000004
CYDMQBQPVICBEU-XRNKAMNCSA-N 		Chlortetracycline

kegg.drug:D07689
keggD:D07689
CYDMQBQPVICBEU-XRNKAMNCSA-N 		Chlortetracycline (INN)
Aureomycin (TN)

seed.compound:cpd03978
seedM:cpd03978
CYDMQBQPVICBEU-XRNKAMNCSA-M 		Chlortetracycline
7-Chlorotetracycline
7-chlorotetracycline
Aureomycin
aureomycin
chlorotetracycline
chlortetracycline

kegg.compound:C06571
keggC:C06571
CYDMQBQPVICBEU-XRNKAMNCSA-N 		Chlortetracycline
7-Chlorotetracycline
Aureomycin

CHEBI:27644
chebi:27644
CYDMQBQPVICBEU-XRNKAMNCSA-N 		chlortetracycline
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
7-Chlorotetracycline
Aueromycin
chlortetracyclinum
clortetraciclina

chebi:23164
chebi:3653
keggC:M_C06571
keggD:M_D07689
seedM:M_cpd03978 		secondary/obsolete/fantasy identifier