Structure Database (LMSD)

Common Name
Tautomycetin
Systematic Name
Synonyms
LM ID
LMPK01000056
Formula
C33H50O10
Exact Mass
Calculate m/z
606.3404
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Linear polyketides [PK01]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces sp. CK4412 (#404220)
Actinomycetes (#1760)
Isolation of the biosynthetic gene cluster for tautomycetin, a linear polyketide T cell-specific immunomodulator from Streptomyces sp. CK4412.,
Microbiology (Reading), 2007
Pubmed ID: 17379718

String Representations

InChiKey (Click to copy)
VAIBGAONSFVVKI-CIFLJJJCSA-N
InChi (Click to copy)
InChI=1S/C33H50O10/c1-9-24(10-2)15-25(34)14-19(4)13-18(3)11-12-26(35)21(6)28(37)16-27(36)20(5)23(8)42-30(39)17-29(38)31-22(7)32(40)43-33(31)41/h9,15,18-21,23,26-27,29,35-36,38H,1,10-14,16-17H2,2-8H3/b24-15-/t18-,19+,20+,21-,23+,26-,27+,29+/m0/s1
SMILES (Click to copy)
C1(C)C(=O)OC(=O)C=1[C@H](O)CC(=O)O[C@H](C)[C@@H](C)[C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@H](C)C[C@@H](C)CC(=O)/C=C(\CC)/C=C

Other Databases

PubChem CID
16759609

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 1
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 633.88
Topological Polar Surface Area 166.57
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
logP 5.09
Molar Refractivity 162.36

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Updated at
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