Structure Database (LMSD)

O O O HO OH O O N H O
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

Main

Classification

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
Pubmed ID: 9031664

Other Databases

CHEBI ID
PubChem CID

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

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Created at
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Updated at
13th Sep 2021