Structure Database (LMSD)

Common Name
manumycin
Systematic Name
(2E,4E,6R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-7-oxo-hepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyl-deca-2,4-dienamide
Synonyms
  • Manumycin A
  • Ucfi-C
  • AC1O5PHE
LM ID
LMFA08020185
Formula
Exact Mass
Calculate m/z
550.267903
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces sp. A-230 (#2033434)
Actinomycetes (#1760)
TMC-1 A, B, C and D, new antibiotics of the manumycin group produced by Streptomyces sp. Taxonomy, production, isolation, physico-chemical properties, structure elucidation and biological properties.,
J Antibiot (Tokyo), 1996
Pubmed ID: 9031666

String Representations

InChiKey (Click to copy)
TWWQHCKLTXDWBD-MVTGTTCWSA-N
InChi (Click to copy)
InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28-,29-,31+/m1/s1
SMILES (Click to copy)
O1[C@@H]2C(C(=C[C@@](/C=C/C=C/C=C/C(NC3C(CCC=3O)=O)=O)([C@H]12)O)NC(/C(/C)=C/C(/C)=C/[C@H](C)CCCC)=O)=O

Other Databases

KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 3
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 562.27
Topological Polar Surface Area 145.33
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 4.56
Molar Refractivity 152.04

Admin

Created at
-
Updated at
13th Sep 2021