Structure Database (LMSD)

Common Name
Pikromycin
Systematic Name
Synonyms
LM ID
LMPK04000038
Formula
C28H47NO8
Exact Mass
Calculate m/z
525.330169
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces venezuelae (#54571)
Actinomycetes (#1760)
Generation of novel pikromycin antibiotic products through mutasynthesis.,
Chembiochem, 2008
Pubmed ID: 18512859

String Representations

InChiKey (Click to copy)
UZQBOFAUUTZOQE-VSLWXVDYSA-N
InChi (Click to copy)
InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1
SMILES (Click to copy)
CC[C@@H]1[C@](C)(/C=C/C(=O)[C@H](C)C[C@H](C)[C@@H]([C@@H](C)C(=O)[C@@H](C)C(=O)O1)O[C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O)O

Other Databases

KEGG ID
C11999
CHEBI ID
29665
PubChem CID
5282037
Cayman ID
31331
PDB ID
AQJ

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 539.00
Topological Polar Surface Area 126.74
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
logP 4.52
Molar Refractivity 142.11

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Created at
-
Updated at
19th Sep 2023