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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H8O4
Molecular Weight 144.1253
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTENOMYCIN I, (-)-

SMILES

OC[C@]1(O)[C@@H](O)C=CC1=O

InChI

InChIKey=NCKMZWFKQTWDTD-NJGYIYPDSA-N
InChI=1S/C6H8O4/c7-3-6(10)4(8)1-2-5(6)9/h1-2,4,7-8,10H,3H2/t4-,6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H8O4
Molecular Weight 144.1253
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:02:10 GMT 2025
Edited
by admin
on Wed Apr 02 12:02:10 GMT 2025
Record UNII
DZ2G6KA8RT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-PENTENOMYCIN I
Preferred Name English
PENTENOMYCIN I, (-)-
Common Name English
(4S,5S)-4,5-DIHYDROXY-5-(HYDROXYMETHYL)-2-CYCLOPENTEN-1-ONE
Systematic Name English
2-CYCLOPENTEN-1-ONE, 4,5-DIHYDROXY-5-(HYDROXYMETHYL)-, (4S,5S)-
Systematic Name English
2-CYCLOPENTEN-1-ONE, 4,5-DIHYDROXY-5-(HYDROXYMETHYL)-, (4S-CIS)-
Systematic Name English
ANTIBIOTIC C 2554B
Common Name English
Antibiotic XB 94
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40197948
Created by admin on Wed Apr 02 12:02:10 GMT 2025 , Edited by admin on Wed Apr 02 12:02:10 GMT 2025
PRIMARY
CAS
49644-25-9
Created by admin on Wed Apr 02 12:02:10 GMT 2025 , Edited by admin on Wed Apr 02 12:02:10 GMT 2025
PRIMARY
FDA UNII
DZ2G6KA8RT
Created by admin on Wed Apr 02 12:02:10 GMT 2025 , Edited by admin on Wed Apr 02 12:02:10 GMT 2025
PRIMARY
PUBCHEM
162082
Created by admin on Wed Apr 02 12:02:10 GMT 2025 , Edited by admin on Wed Apr 02 12:02:10 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER