Sultriecin free acid
PubChem CID
45379049
Structure
Molecular Formula
Synonyms
- Sultriecin free acid
- Sultriecin free acid, (+)-
- UNII-593W01K299
- 593W01K299
- 725206-00-8
Molecular Weight
470.6 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2010-05-17
- Modify:2024-12-07
Description
Sultriecin free acid has been reported in Streptomyces roseiscleroticus with data available.
Chemical Structure Depiction
[(1E,4S,5S,6S,7Z,9Z,11E)-6-hydroxy-1-[(2S,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-5-methylheptadeca-1,7,9,11-tetraen-4-yl] hydrogen sulfate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C23H34O8S/c1-3-4-5-6-7-8-9-10-11-13-19(24)18(2)21(31-32(27,28)29)14-12-15-22-20(25)16-17-23(26)30-22/h7-13,15-22,24-25H,3-6,14H2,1-2H3,(H,27,28,29)/b8-7+,10-9-,13-11-,15-12+/t18-,19-,20-,21-,22-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
GGSVZPLREMJSBU-AMXMUAFGSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCC/C=C/C=C\C=C/[C@@H]([C@H](C)[C@H](C/C=C/[C@H]1[C@H](C=CC(=O)O1)O)OS(=O)(=O)O)O
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C23H34O8S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
725206-00-8
- Sultriecin free acid
- Sultriecin free acid, (+)-
- UNII-593W01K299
- 593W01K299
- 725206-00-8
- 2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-6-((1E,4S,5S,6S,7Z,9Z,11E)-6-hydroxy-5-methyl-4-(sulfooxy)-1,7,9,11-heptadecatetraen-1-yl)-, (5S,6S)-
- ((1E,4S,5S,6S,7Z,9Z,11E)-6-hydroxy-1-((2S,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl)-5-methylheptadeca-1,7,9,11-tetraen-4-yl) hydrogen sulfate
- [(1E,4S,5S,6S,7Z,9Z,11E)-6-hydroxy-1-[(2S,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-5-methylheptadeca-1,7,9,11-tetraen-4-yl] hydrogen sulfate
- Q27261638
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
470.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
14
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
470.19743921 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
470.19743921 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
139Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
32
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
804
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
5
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
4
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChemIDplusSultriecin free acidhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0725206008ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingSULTRIECIN FREE ACIDhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/593W01K299
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Sultriecin free acidhttps://www.wikidata.org/wiki/Q27261638LOTUS Treehttps://lotus.naturalproducts.net/
- Wikidatasultriecin free acidhttps://www.wikidata.org/wiki/Q27261638
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS