5a,11a-Dehydrooxytetracycline (Q27155528)

(4S,4aR,5R,6R,12aS)-4-(Dimethylamino)-3,5,6,10,12a-pentahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydro-2-tetracenecarboxamide (English)

retrieved

9 October 2016

chemical formula

C₂₂H₂₂N₂O₉

0 references

canonical SMILES

CC1(C=2C=CC=C(C2C(C3=C1C(C4(C(C(=C(C(C4(C3=O)O)=O)C(=N)O)O)(N(C)C)[H])[H])(O)[H])=O)O)O

1 reference

language of work or name

English

title

5a,11a-Dehydrooxytetracycline (English)

retrieved

9 October 2016

isomeric SMILES

C[C@]1(C=2C=CC=C(C2C(C3=C1[C@@]([C@]4([C@@](C(=C(C([C@]4(C3=O)O)=O)C(=N)O)O)(N(C)C)[H])[H])(O)[H])=O)O)O

1 reference

language of work or name

English

title

5a,11a-Dehydrooxytetracycline (English)

retrieved

9 October 2016

Identifiers

InChI

InChI=1S/C22H22N2O9/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/h4-6,13-14,17,25,27-28,32-33H,1-3H3,(H2,23,31)/t13-,14+,17+,21-,22+/m1/s1

1 reference

language of work or name

English

title

5a,11a-Dehydrooxytetracycline (English)

retrieved

9 October 2016

InChIKey

ROBBXUWFDJWPEM-VIWJHOEESA-N

2 references

language of work or name

English

title

5a,11a-Dehydrooxytetracycline (English)

retrieved

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

(4S,4aR,5R,6R,12aS)-4-(Dimethylamino)-3,5,6,10,12a-pentahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydro-2-tetracenecarboxamide (English)

retrieved

9 October 2016

ChEBI ID

134368

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI