Chemical Compound

Heneicomycin

CAS Registry Number 66170-37-4
Heneicomycin chemical structure
Primary Record

Heneicomycin

In stock
9,368 g
Purity
99.7 %
CAS
66170-37-4

Compound Identifiers & Properties

CAS
66170-37-4
PubChem CID
135612719
SMILES
CC[C@H](C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)/C=C/C=C/C=C(\C)/C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3(C[C@@H](C([C@@H](O3)/C=C/C=C/C)(C)C)O)O
Canonical SMILES
C/C=C/C=C/[C@@H]1O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@@H]2O[C@H](/C=C/C=C/C=C(\C)C(=O)c3c(O)ccn(C)c3=O)[C@H](O)[C@@H]2O)C[C@H](O)C1(C)C

Names & Synonyms

  • Heneicomycin
  • Antibiotic A 21A
  • 30-Deoxy-1-methylmocimycin
  • RefChem:145562
  • AC1O51HT
  • A21A
  • Mocimycin, 30-deoxy-1-methyl-
  • SCHEMBL29363259
  • C44H62N2O11
  • 66170-37-4
  • BBF-01338
  • ZINC604378760
  • C44-H62-N2-O11
  • CID6450348
  • (2S)-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxopyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]butanamide
  • 2H-Pyran-2-acetamide, N-((2E,4E,6S,7R)-7-((2S,3S,4R,5R)-5-((1E,3E,5E)-7-(1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrienyl)tetrahydro-3,4-dihydroxy-2-furanyl)-6-methoxy-5-methyl-2,4-octadienyl)-alpha-ethyltetrahydro-2,4-dihydroxy-5,5-dimethyl-6-((1E,3Z)-1,3-pentadienyl)-, (alphaS,2S,4S,6S)-
  • (2S)-2-((2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-((1E,3E)-penta-1,3-dienyl)oxan-2-yl)-N-((2E,4E,6S,7R)-7-((2S,3S,4R,5R)-3,4-dihydroxy-5-((1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxopyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trienyl)oxolan-2-yl)-6-methoxy-5-methylocta-2,4-dienyl)butanamide
  • (2S)-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(2-hydroxy-1-methyl-4-oxopyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]butanamide
  • 2H-Pyran-2-acetamide, N-(7-(5-(7-(1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrienyl)tetrahydro-3,4-dihydroxy-2-furanyl)-6-methoxy-5-methyl-2,4-octadienyl)-alpha-ethyltetrahydro-2,4-dihydroxy-5,5-dimethyl-6-(1,3-pentadienyl)-, (2S-(2alpha,2(R*(2E,4E,6R*,7S*(2R*,3R*,4S*,5S*(1E,3E,5E)))),4beta,6beta(1E,3E)))-