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Chemical structure of Phenelfamycin E

GC44622

Phenelfamycin E

Also known as (2E,4E,6E)-7-[(2S,3S,5R)-5-[(2S,3S,4E,6E)-8-[[(2S)-2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2R,4S,5R,6S)-5-[(2R,4R,5S,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid

Phenelfamycin E is an antibiotic originally isolated from Streptomyces

ChemicalCAS114451-31-9MW1226.4FormulaC65H95NO21
CAS number
114451-31-9
Molecular weight
1226.4
Formula
C65H95NO21
Solubility
Soluble in DMSO
InChIKey
UDVVGDCMWCVRCO-WOPDTIQPSA-N
Catalogue number
GC44622
Brand
GLPBIO
Computed properties PubChem CID 90478442 · XLogP 6.1 · TPSA 284 Ų · H-bond donors 6
XLogP
6.1
TPSA
284 Ų
H-bond donors
6
H-bond acceptors
21
Rotatable bonds
29
Heavy atoms
87

SMILES C/C=C\C=C\[C@H]1C([C@H]([C@H]([C@](O1)([C@H](CO[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O[C@@H]3C[C@H]([C@H]([C@@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)OC)OC)OC)C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]5C[C@@H]([C@@H](O5)/C=C/C=C/C=C/C(=O)O)O)OC)O)OC(=O)CC6=CC=CC=C6)O)(C)C

Computed descriptors from PubChem (CID 90478442), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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