Structure Database (LMSD)
Common Name
FR901464
Systematic Name
(2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate
Synonyms
LM ID
LMFA08020177
Formula
Exact Mass
Calculate m/z
507.283219
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of FR901464
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PJKVJJDQXZARCA-QHYZBLTGSA-N
InChi (Click to copy)
InChI=1S/C27H41NO8/c1-16(8-11-23-25(31)27(15-33-27)14-26(6,32)36-23)7-10-22-17(2)13-21(19(4)35-22)28-24(30)12-9-18(3)34-20(5)29/h7-9,11-12,17-19,21-23,25,31-32H,10,13-15H2,1-6H3,(H,28,30)/b11-8+,12-9-,16-7+/t17-,18-,19+,21+,22-,23+,25+,26-,27+/m0/s1
SMILES (Click to copy)
C[C@@]1(O[C@@H]([C@@H](O)[C@]2(C1)OC2)/C=C/C(/C)=C/C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\[C@@H](OC(C)=O)C)C[C@@H]1C)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Pseudomonas sp.
(#306)
Gammaproteobacteria
(#1236)
New antitumor substances, FR901463, FR901464 and FR901465. I. Taxonomy, fermentation, isolation, physico-chemical properties and biological activities.,
J Antibiot (Tokyo), 1996
J Antibiot (Tokyo), 1996
Pubmed ID:
9031664
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
3
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
506.70
Topological Polar Surface Area
130.99
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
9
logP
4.89
Molar Refractivity
137.32
Admin
Created at
-
Updated at
13th Sep 2021