BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Erythromycin

Erythromycin synonyms

Erythromycin

Wikipedia:

Graphical representations:

erythromycin image

Molecular Formula: C37 H67 N O13

Natural Isotopic Abundance Mass: 733.92678

Mono-Isotopic Molecular Masses:

  • C12N14: 733.4612412432
  • C13N14: 770.5853702418
  • C12N15: 734.4582761364
  • C13N15: 771.582405135

InCHi String:

canonical SMILES: CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O

isomeric SMILES: CC[C@@H]1[C@@](C([C@H](C(=O)[C@@H](C[C@@](C(C(C([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O

PUBCHEM iupac NAME
(2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione

PUBCHEM iupac TRADITIONAL NAME
(2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-quinone

PUBCHEM iupac OPENEYE NAME
(2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione

PUBCHEM iupac CAS NAME
(2R,4S,5R,8R,12R,14R)-11-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-5-ethyl-3,4,12-trihydroxy-9-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-tetrahydropyranyl]oxy]-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione

PUBCHEM iupac SYSTEMATIC NAME
(2R,4S,5R,8R,12R,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-oxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione

PubChem Substance (SID):   111677802   24894626   40716673
PubChem Compound (CID):   16212992
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   ERY
Miscellaneous Databases and IDs:   Sigma-Aldrich E6376_SIAL   ChemSpider 17340748   MMCD cq_01224   MDL MFCD00084654

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.