propanon bonds: adding bonds by clicking adding bonds by dragging fixed bond length: object –...
TRANSCRIPT
O
propanon
CH
OCHO
OHH
HHO
OHH
OHH
CH2OHChemical Formula: C6H12O6
Exact Mass: 180.0634Molecular Weight: 180.1559
m/z: 180.0634 (100.0%), 181.0667 (6.5%), 182.0676 (1.2%)Elemental Analysis: C, 40.00; H, 6.71; O, 53.29
OH
OH
H
OH
H
OHH
OH
CH2OH
H
CH3
HH
H
CH3
H
(S)
NH2
OH
O
(R)
NH2
HO
O
(R)
NH2HO
O
OO
BONDS: • Adding bonds by clicking• Adding bonds by dragging• Fixed bond length: Object – Fixed Length• Fixed bond angle: Object – Fixed Angle• Changing fixed values: File – Document Settings – Drawing• Drawing bonds:
double, double either, triple, quadruple, dative, and wedged• Editing bonds:
changing bond typeschanging double bondsaligning double bonds
• Moving atoms (changing a ring type)• Changing bond crossings: ‘Send to back’ or ‘Bring to front’• Chemical warnings (type of chemical warnings)
CAPTIONS AND ATOM LABELS (1): • Creating captions or atom labels (drawing phenol)• Repeating captions or atom labels (double click)• Using hotkeys (List Help; e.g: 3 t-Bu, 4 Ph)
(Place the cursor at the right atom and type the hotkey.)• Using nicknames (Hotkey “=“; e.g: Bz = benzoyl, TFA = trifluoroacetone)• Expanding nicknames (select the nickname, then Structure – Expand Label)
Ph CH2CH2CHCH3
CH3contracted form
CH3
expanded form
CH2CH2NHCCH3
O
O
HN
contracted form expanded form
adding bonds to a label
adding bonds to a label
hexylbenzene
nickname
CAPTIONS AND ATOM LABELS (2): • Annotations
double, double either, triple, quadruple, dative, and wedged• Formatting captions or labels:
formatting a caption or labelcoloring textcaption width (by dragging the resize handle of the text box)deleting labels
• Setting preferences: File – Preferences – Building/Displayautomatic atom label alignmentautomatically rectify hydrogens in atom labels
• Chemical significance
RINGS: • Adding a ring to an atom• Adding a ring to a bond• Adding a spiro linkage• Sprouting rings instead of spiro linkage
File – Preferences – Building/DisplaySprout Rings Instead of Spiro When Clicking
• Cyclohexane chair rings• Aromatic structures:
delocalized ring (benzene tool, with or without Shift)resonance structures (Ctrl + benzene tool)
ACYCLIC CHAINS• Draw an acyclic chain• Adding chain to structures• Specifying chain length (click an atom with Acyclic Chain tool, type the
number of atoms in the chain)• Changing chain direction (Ctrl)
DRAWING SEQUENCES:• Drawing a sequence
• Expanding sequences: Select the label(s) Structure – Expand Label• Collapsing labels: Double-click the label(s) Structure – Contract Label• Removing residues: Collapse then double-click the label(s) Delete• Replacing residues:
Point the Marquee tool to a label, then type hotkey for the new one• Adding labels
Kode nukleotida IUPAC
Basa
ACG
T (atau U)RYSWKMBDHVN
- or -
AdeninaSitosinaGuaninaTimina (atau Urasil)A atau GC atau TG atau CA atau TG atau TA atau CC atau G atau TA atau G atau TA atau C atau TA atau C atau GBasa apa sajaCelah
Kode asam amino IUPAC
Kode 3-huruf Asam amino
ACDEFGHIKLMNPQRSTVWY
AlaCysAspGluPheGlyHisIleLysLeuMetAsnProGlnArgSerThrValTrpTyr
AlaninaSisteina
Asam aspartatAsam glutamat
FenilalaninaGlisina
HistidinaIsoleusina
LisinaLeusina
MetioninaAsparagina
ProlinaGlutaminaArgininaSerina
TreoninaValina
TriptofanTirosina
SELECTION TOOLS:• Lasso freehand selection; Marquee select rectangular regions• Toggling between tools: Alt• Selecting entire structure: Double click a bond or atom within the structure• Selecting objects by dragging• Selecting objects by clicking• Resizing an object• Rotating an object
(with or without Ctrl)
SELECTION TOOLS (2):• Rotate for specific degrees: Object – Rotate
Type how many degrees, CW or CCW If necessary, check list ‘Rotate Atom Labels’
Repeat the same rotation: Select another object immediately Edit – Repeat Rotate.
• Selecting multiple objects: Shift or Edit – Select All• Deselecting objects: Click in any empty area or press Esc• Moving objects by dragging (with or without Shift)• Moving objects by using arrows (with or without Alt)• Copying objects: Ctrl + drag or Ctrl + Shift + drag• Deleting objects: Delete or Edit – Clear
ADVANCED DRAWING TECHNIQUES (1):• Joining objects: Select all atoms or bonds to be joined, then Object – Join
• Grouping objects: Select all objects, then Object – Group• Ungrouping objects: Select a group, then Object – Ungroup• Creating integral groups: Right click, Group – Integral
ADVANCED DRAWING TECHNIQUES (2):• Scaling objects: Object – Scale or double-click one of the resize handle
ADVANCED DRAWING TECHNIQUES (3):• Reflecting structures through planes: Object – Flip Horizontal/Vertical
(compare it with Object – Rotate 180o Horizontal/Vertical)
ADVANCED DRAWING TECHNIQUES (4):• Structure Clean Up: Structure – Clean Up Structure atau Shift + Ctrl + K
ADVANCED DRAWING TECHNIQUES (5):• Drawing a polyhapto structure (e.g., ferrocene, (Cp)2Fe):
Structure – Add Multi-Center Attachment• Drawing abbreviate notation (e.g. for 1,2-dibromobenzene):
Structure – Add Variable Attachment• Viewing attachment points: Point to the asterisk with selection or bond tool
ADVANCED DRAWING TECHNIQUES (6):• Showing atom numbers: Select the atoms or structure Right-click
Atoms – Show Atom Number• Removing atom numbers: Eraser tool, or Marquee/Lasso Tool – Delete• Editing atom numbers: Text tool
• Structure Perspective tool effect: Drag or Shift + Drag• Marquee/Lasso Tool Object – Flatten:
Strips the z-coordinate from the selected object(s), bringing them all into the same plane.
ADVANCED DRAWING TECHNIQUES (7):• Mass Fragmentation tool: mimics the molecular fragmentation in a mass
spectrometer, but does not have any predictive qualities.
Just dragging:
Dragging, then Alt: (CAUTION: not Alt + dragging)
ADVANCED DRAWING TECHNIQUES (8):Drawing reaction: • Drawing propan-2-one• Drawing an arrow
Arrow tool – Arrow toolbar – Select an arrow type – Draw by dragging.Right-click – Plain/Dashed/Bold, Full/Half Arrow, Solid/Hollow/ Angled Arrowhead, Cross/Hash/Dipole, Filled/Shaded/Faded (for block arrow)
• Adding caption + negative charge symbol: Text tool, Chemical Symbol tool – Chemical Symbol tool pallete,Grouping objects: Object – Group
• Drawing the product: Duplicating a structure, adding more bonds, adding an atom label
• Adding a frame: Drawing Element tool
O OH O OH
propan-2-on 4-hidroksi-4-metilpentan-2-on
ADVANCED DRAWING TECHNIQUES (9):• Reaction interpreter: View – Show Reaction Interpretation
Point Marquee/Tool cursor at the reaction arrow Red (reactant), Cyan (above reaction arrow) Magenta (product), Blue (below reaction arrow)
Drawing an intermediate (1):
OOH
ADVANCED DRAWING TECHNIQUES (10):• Using the cyclohexane ring tool• Erasing an atom• Adding a bond• Adding two bonds to an atom• Creating a double bond• Type atom label: OH O–, OH
ADVANCED DRAWING TECHNIQUES (11):• Arrow tool: Dragging & adjusting • Draw Curve tool: Drawing & adjusting
OOH
ADVANCED DRAWING TECHNIQUES (12):• Adding an arrow head.