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oxytetracycline

PropertiesImage
MNX_IDMNXM741185 Image of MNXM741185
referencechebi:133011
formulaC22H24N2O9
global charge0
mol weight460.439
InChIKeyIWVCMVBTMGNXQD-PXOLEDIWSA-N
InChIInChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/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=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12
MNX internals
InChI (mnx)InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1 Image of MNXM741185
SMILES (mnx)[CH3:1][C@@:21]1([OH:32])[C:7]2=[C:9]([C:8]([OH:25])=[CH:6][CH:4]=[CH:5]2)[C:15](=[O:26])[C:10]2=[C:18]([OH:29])[C@@:22]3([OH:33])[C@H:13]([C@H:14]([N:24]([CH3:2])[CH3:3])[C:16]([OH:27])=[C:11]([C:20](=[NH:23])[OH:31])[C:19]3=[O:30])[C@@H:17]([OH:28])[C@@H:12]21
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133011
chebi:133011
IWVCMVBTMGNXQD-PXOLEDIWSA-N 		oxytetracycline
(1S,4aS,11S,11aR,12S,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
oxytetracycline zwitterion

lipidmaps:LMPK07000005
lipidmapsM:LMPK07000005
IWVCMVBTMGNXQD-PXOLEDIWSA-N 		Oxytetracycline

seed.compound:cpd04028
seedM:cpd04028
IWVCMVBTMGNXQD-PXOLEDIWSA-N 		Oxytetracycline
5-hydroxytetracycline
Oxytetracycline anhydrous
oxyterracin
oxyterracine
oxytetracycline
terramycin

kegg.compound:C06624
keggC:C06624
IWVCMVBTMGNXQD-PXOLEDIWSA-N 		Oxytetracycline
Oxytetracycline anhydrous

CHEBI:27701
chebi:27701
IWVCMVBTMGNXQD-PXOLEDIWSA-N 		oxytetracycline
(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
5-Hydroxytetracycline
Oxyterracin
Oxyterracine
Oxytetracyclin
Oxytetracycline (anhydrous)
Oxytetracycline amphoteric
oxitetraciclina
oxytetracyclinum

metacyc.compound:CPD-19255
metacycM:CPD-19255
IWVCMVBTMGNXQD-PXOLEDIWSA-N 		oxytetracycline
5-hydroxytetracycline
oxyterracin
oxyterracine
terramycin

chebi:25811
chebi:521157
chebi:596903
chebi:7871
keggC:M_C06624
seedM:M_cpd04028 		secondary/obsolete/fantasy identifier