CHEBI:144646 - 11a-hydroxy-oxytetracycline zwitterion

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 11a-hydroxy-oxytetracycline zwitterion
ChEBI ID CHEBI:144646
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C22H24N2O10
Net Charge 0
Average Mass 476.438
Monoisotopic Mass 476.14309
InChI InChI=1S/C22H24N2O10/c1-20(32)7-5-4-6-8(25)9(7)16(28)22(34)15(20)14(27)11-12(24(2)3)13(26)10(18(23)30)17(29)21(11,33)19(22)31/h4-6,11-12,14-15,25-27,32-34H,1-3H3,(H2,23,30)/t11-,12+,14-,15-,20-,21-,22+/m1/s1
InChIKey PMJXYABPGXMLDM-LUVPITIUSA-N
SMILES C12=CC=CC(=C1C([C@]3([C@]([C@@H]([C@]4([C@@H](C([O-])=C(C([C@@]4(O)C3=O)=O)C(N)=O)[NH+](C)C)[H])O)([C@]2(C)O)[H])O)=O)O
ChEBI Ontology
Outgoing 11a-hydroxy-oxytetracycline zwitterion (CHEBI:144646) is a organic molecular entity (CHEBI:50860)
Synonym Source
11a-hydroxy-oxytetracycline UniProt