 |
AC1 : Summary
Code 
|
AC1
|
One-letter code
|
X
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Molecule name
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4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
|
Synonyms
|
6-METHYL-5-(4,5,6-TRIHYDROXY-3-HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-TETRAHYDRO-PYRAN-2,3,4-TRIOL
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucose
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-D-glucose
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-glucose
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Systematic names
|
|
Formula
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C13 H23 N O8
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Formal charge
|
0
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Molecular weight
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321.324 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
|
SMILES
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ACDLabs |
10.04 |
OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C |
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SMILES
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CACTVS |
3.341 |
C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O |
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SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC1C(C(C(C(O1)O)O)O)NC2C=C(C(C(C2O)O)O)CO |
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Canonical SMILES
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CACTVS |
3.341 |
C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O |
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Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO |
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IUPAC InChI | InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1 |
IUPAC InChI key | RBZIIHWPZWOIDU-ZCGMLSCUSA-N |
Is part of |
IAB
, ACR
, QPS
|
|
wwPDB Information |
Atom count
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45 (22 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide
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Type code
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ATOMS
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-09-21
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Last modified at
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2020-07-17
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Status
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Released
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Obsoleted
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Not Assigned
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Protein Data Bank 
