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5a,11a-dehydrotetracycline

PropertiesImageOccurences in reactions
MNX_IDMNXM2907Image of MNXM2907
#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
formulaC22H22N2O8
charge0
mass442.41876
referencechebi:57522
InChIKeyDUAVZCXHIINBQU-ILGMQVKHSA-N
InChIInChI=1S/C22H22N2O8/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/h4-6,10,15,25,27,31-32H,7H2,1-3H3,(H2,23,30)/t10-,15-,21+,22-/m0/s1
SMILESC[NH+](C)[C@H]1[C@@H]2CC3=C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)=C1[O-]
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:57522
chebi:57522
5a,11a-dehydrotetracycline
(1S,4aS,11S,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11-trihydroxy-11-methyl-4,5,6-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracen-2-olate
12-dehydrotetracycline zwitterion
seed.compound:cpd02048
seedM:cpd02048
12-Dehydrotetracycline
(4S,4aS,6S,12aS)-4-dimethylamino-3,6,10,12a-tetrahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracene-2-carboxamide
1-dimethylamino-2,4alpha,7,11-tetrahydroxy-11-methyl-4,5,6-trioxo- 4alpha,11,12,12alpha-tetrahydro-1H-tetracene-3-carboxamide
12-dehydrotetracycline
5a,11a-Dehydrotetracycline
5a,11a-dehydrotetracycline
CHEBI:15808
chebi:15808
12-dehydrotetracycline
(4S,4aS,6S,12aS)-4-dimethylamino-3,6,10,12a-tetrahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracene-2-carboxamide
12-Dehydrotetracycline
kegg.compound:C03206
keggC:C03206
5a,11a-Dehydrotetracycline
12-Dehydrotetracycline
metacyc.compound:12-DEHYDROTETRACYCLINE
metacycM:12-DEHYDROTETRACYCLINE
5a,11a-dehydrotetracycline
(4S,4aS,6S,12aS)-4-dimethylamino-3,6,10,12a-tetrahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracene-2-carboxamide
1-dimethylamino-2,4alpha,7,11-tetrahydroxy-11-methyl-4,5,6-trioxo- 4alpha,11,12,12alpha-tetrahydro-1H-tetracene-3-carboxamide
12-dehydrotetracycline
chebi:11316
chebi:19136
chebi:739
keggC:M_C03206
seedM:M_cpd02048
secondary/obsolete/fantasy identifier