xan-3-yl]ethanamide"
}
xan-3-yl]acetamide"
etrahydropyran-3-yl]acetamide"
dropyran-3-yl]acetamide"
PC-Compound ::= {
8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1/f/h10H"
3-tetrahydropyranyl]acetamide"
0000800800010350020080001F4000071600930001F05003000000000000000000000000000000
000000000000000000001E0010080000083CE18006020002C00600080001101000000000000000
0000000000000000'H
},
}
stereo {
props {
id {
count {
coords {
charge 0,
bonds {
atoms {
},
}
{
tetrahedral {
tautomers 2
order {
isotope-atom 0,
id cid 439454
heavy-atom 15,
element {
covalent-unit 1,
bond-chiral-undef 0,
bond-chiral-def 0,
bond-chiral 0,
atom-chiral-undef 0,
atom-chiral-def 5,
atom-chiral 5,
aid2 {
aid1 {
aid {
},
}
value sval "N-[(2R,3R,4R,5S,6R)-2-amino-4,5-dihydroxy-6-methylol-tetrahy
value sval "N-[(2R,3R,4R,5S,6R)-2-amino-4,5-dihydroxy-6-(hydroxymethyl)t
value sval "N-[(2R,3R,4R,5S,6R)-2-amino-4,5-dihydroxy-6-(hydroxymethyl)o
value sval "N-[(2R,3R,4R,5S,6R)-2-amino-4,5-dihydroxy-6-(hydroxymethyl)-
value sval "InChI=1/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-
value sval "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N)CO)O)O"
value sval "CC(=O)NC1C(C(C(OC1N)CO)O)O"
value sval "C8H16N2O5"
value ival 6
value ival 5
value ival 2
value ival 1
value fval { 237, 10, 0 }
value fval { 22022304, 10, -5 }
value fval { 220105922, 10, -6 }
value fval { 125, 10, 0 }
value fval { -24, 10, -1 }
value binary '00000371E0733800000000000000000000000000000000000000240000
urn {
type {
type tetrahedral
top 9,
top 7,
top 12,
top 10,
single,
single
parity counterclockwise,
parity clockwise,
o,
n,
h,
h
double,
conformers {
center 9,
center 8,
center 12,
center 11,
center 10,
c,
bottom 9,
bottom 8,
bottom 13,
bottom 11,
below 20,
below 19,
below 18,
below 17,
below 16,
aid {
above 6,
above 3,
above 2,
above 1,
9,
8,
7,
6,
5,
4,
31
30,
3,
29,
28,
27,
26,
25,
24,
23,
22,
21,
20,
2,
19,
18,
17,
16,
15,
15
14,
13,
12,
11,
10,
1,
}
{
version "3.347",
version "2.1",
version "1.6.0",
version "1.5.1",
version "1.0.1",
units-unknown
threed,
source "xemistry.com",
source "openeye.com",
source "nist.gov",
source "ncbi.nlm.nih.gov",
software "PubChem",
software "OEChem",
software "LexiChem",
software "InChI",
software "Cactvs",
release "2008.01.11"
parameters "options {auxnonr donotaddh w0 fixedh recmet newps}",
parameters "extended 2",
name "XLogP2",
name "Traditional",
name "Systematic",
name "SubStructure Keys",
name "Rotatable Bond",
name "Preferred",
name "Polar Surface Area",
name "MonoIsotopic",
name "Isomeric",
name "Hydrogen Bond Donor",
name "Hydrogen Bond Acceptor",
name "Exact",
name "Canonicalized",
name "Canonical",
name "CAS-like Style",
name "Allowed",
label "Weight",
label "Topological",
label "SMILES",
label "Molecular Weight",
label "Molecular Formula",
label "Mass",
label "Log P",
label "InChI",
label "IUPAC Name",
label "Fingerprint",
label "Count",
label "Compound",
label "Compound Complexity",
implementation "E_XLOGP2",
implementation "E_TPSA",
implementation "E_SCREEN",
implementation "E_NROTBONDS",
implementation "E_NHDONORS",
implementation "E_NHACCEPTORS",
implementation "E_INCHI",
implementation "E_COMPLEXITY",
datatype uint,
datatype string,
datatype fingerprint,
datatype double,
computed,
9,
8,
7,
6,
5,
4,
31
30,
3,
29,
28,
27,
26,
25,
24,
23,
22,
21,
20,
2,
19,
18,
17,
16,
15,
14,
13,
12,
11,
10,
1,
},
}
y {
x {
style {
},
}
{ 93, 10, -2 },
{ 81, 10, -2 },
{ 6538, 10, -3 },
{ 6001, 10, -3 },
{ 5135, 10, -3 },
{ 5, 10, -1 },
{ 48059, 10, -4 },
{ 4269, 10, -3 },
{ 40569, 10, -4 },
{ 4023, 10, -3 },
{ 393, 10, -2 },
{ 36584, 10, -4 },
{ 3403, 10, -3 },
{ 331, 10, -2 },
{ 331, 10, -2 }
{ 31, 10, -2 },
{ 2866, 10, -3 },
{ 2783, 10, -3 }
{ 25369, 10, -4 },
{ 231, 10, -2 },
{ 212, 10, -2 },
{ 2, 10, 0 },
{ 181, 10, -2 },
{ 143, 10, -2 },
{ 112, 10, -2 },
{ -69, 10, -2 },
{ -38, 10, -2 },
{ -331, 10, -2 },
{ -27726, 10, -4 },
{ -269, 10, -2 },
{ -219, 10, -2 },
{ -20823, 10, -4 },
{ -181, 10, -2 },
{ -15, 10, -1 },
{ -119, 10, -2 },
annotation {
aid2 {
aid1 {
wedge-up,
wedge-down,
wedge-down
LOCUS BAD89305 567 aa linear VRL 03-FEB-2005
DEFINITION hemagglutinin [Influenza A virus
(A/chicken/Yamaguchi/7/2004(H5N1))].
ACCESSION BAD89305
VERSION BAD89305.1 GI:58531089
DBSOURCE accession AB166862.1
KEYWORDS .
SOURCE Influenza A virus (A/chicken/Yamaguchi/7/2004(H5N1))
ORGANISM Influenza A virus (A/chicken/Yamaguchi/7/2004(H5N1))
Viruses; ssRNA negative-strand viruses; Orthomyxoviridae;
Influenzavirus A.
REFERENCE 1
AUTHORS M,M., T,K., I,T., I,K., T,N., N,K., Y,Y., H,T., K,T., N,T.,
K,M., H,T., K,Y. and Y,S.
TITLE Characterization of H5N1 influenza A viruses isolated during
the 2003-2004 influenza outbreaks in Japan
JOURNAL Virology 332 (1), 167-176 (2005)
PUBMED 15661149
REFERENCE 2 (residues 1 to 567)
AUTHORS Mase,M.
TITLE Direct Submission
JOURNAL Submitted (09-MAR-2004) M M, National Institute of Animal
Health, Department of Infectious Diseases; Kannondai,
Tsukuba, Ibaraki 305-0856, Japan (E-mail:m...@a.g.j,
Tel:81-29-838-7760(ex.7760), Fax:81-29-838-7760)
FEATURES Location/Qualifiers
source 1..567
/organism="Influenza A virus
(A/chicken/Yamaguchi/7/2004(H5N1))"
/strain="A/chicken/Yamaguchi/7/2004"
/serotype="H5N1"
/db_xref="taxon:266093"
/segment="4"
/country="Japan"
Protein 1..567
/product="hemagglutinin"
CDS 1..567
/gene="HA"
/coded_by="AB166862.1:1..1704"
ORIGIN
1 mekivlllai vslvksdqic igyhannste qvdtimeknv tvthaqdile kthngklcdl
61 dgvkplilrd csvagwllgn pmcdefinvp ewsyivekan psndlcypgn fndyeelkhl
121 lsrinhfeki qiipksswsd heassgvssa cpyqgrssff rnvvwlikkn sayptikrsy
181 nntnqedllv lwgihhpnda aeqtrlyqnp ttyisvgtst lnqrlvpkia trskingqsg
241 rmeffwtilk pndaisfesn gnfiapeyay kivkkgdsai mkseleygnc ntkcqtpmga
301 inssmpfhni hpltigecpk yvkssrlvla tglrnspqre rrkkrglfga iagfieggwq
361 gmvdgwygyh hsneqgsgya adkestqkai dgvtnkvnsi idkmntqfea vgrefnnler
421 rienlnkkme dgfldvwtyn aellvlmene rtldfhdsnv knlydkvrlq lrdnakelgn
481 gcfefyhrcd neciesvrng tydypqysee arlkreeisg vklesigtyq ilsiystvas
541 slalaimvag lslwmcsngs lqcrici
//
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Influenza Sequence Database
[ www.flu.lanl.gov ]
[ Tommy Roe - Sweet Pea ]