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化合物信息
ID:1419
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基本信息
化学结构
分子式
C₁₀H₁₅N₂O₈P
分子量
322.208461
精确质量
322.05660208
电荷
0
InChI
InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey
GYOZYWVXFNDGLU-XLPZGREQSA-N
Canonic Smiles
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cc(C)c(=O)[nH]c1=O
Isomeric Smiles
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
计算属性
JChem
LogD (pH = 7.4)
-4.77
LogD (pH = 5.5)
-3.68
Log P
-1.24
可自由旋转的化学键
4
质子供体
4
质子受体
7
里宾斯基五规则
true
Acid pKa
1.23
极化表面积
145.63
极化性
27.64
摩尔折射率
66.28
LOG S
-0.12
数据来源
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名称和标识
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数据登录号
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化合物性质
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分子相关蛋白质
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分子图谱
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描述信息
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参考文献
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生物活性
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引用
下载
导 航
基本信息
计算属性
•
RDKit
•
JChem
数据来源
•
学术数据
名称和标识
•
别名
•
IUPAC标准名
•
IUPAC传统名
数据登录号
化合物性质
分子相关蛋白质
分子图谱
描述信息
•
DrugBank
•
ChEBI
参考文献
•
PubChem文献
•
数据源提供
生物活性
•
PubChem BioAssay
数据来源
学术数据
PubChem
9700
DrugBank
DB01643
ChEBI
CHEBI:17013
名称和标识
别名
Deoxythymidine monophosphate
Thymidine 5'-phosphoric acid
Poly(DT)
Deoxythymidine phosphate
Deoxyribosylthymine monophosphate
5-Methyl-dUMP
Deoxythymidine 5'-phosphate
5'-dTMP
Thymidine mononucleotide
Thymidine-5'-monophosphoric acid
Thymidine monophosphate
DPT
5'-Thymidylic acid
TMP
DTMP
5'-TMP
Poly t
Polydeoxythymidylic acid
Thymidine 5'MP
Thymidine 5'-(dihydrogen phosphate)
Thymidylic acid
Deoxythymidylic acid
3'-Tmp
3'-Thymidylic acid
Thymidine 5'-phosphate
Polythymidine
Thymidylate
Thymidine phosphate
Poly(t)
Thymidine-5'-Phosphate
Polydeoxyribothymidylic acid
Octothymidylate
Thymidine-5'-Monophosphate
Thymidylic acid polymer
2'-Deoxythymidine 5'-monophosphate
Polythymidylic acid
Deoxy TMP
Deoxythymydilic acid
Deoxythymidine 5'-monophosphate
deoxyribosylthymine monophosphate
THYMIDINE-5'-PHOSPHATE
5'-Thymidylic acid
(dT)1
thymidine 5'-phosphoric acid
thymidine-5'-monophosphoric acid
Thymidylic acid
Thymidine monophosphate
Thymidine 5'-phosphate
TMP
ribothymidine 5'-monophosphate
dTMP
thymidine 5'-(dihydrogen phosphate)
5'-TMP
5-methyl-dUMP
Thymidylate
IUPAC标准名
{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
IUPAC传统名
thymidine-5'-phosphate
thymidylate
描述信息
DrugBank
DB01643
Drug Groups
experimental
Description
5-Thymidylic acid. A thymine nucleotide containing one phosphate group esterified to the deoxyribose moiety.
ChEBI
CHEBI:17013
The neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate).
参考文献
PubChem文献
暂无数据
点击上传数据
生物活性
PubChem BioAssay
分子相关蛋白质
PDB Bank
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6L18
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1TMK
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1E2E
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1CY7
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1E9F
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4KX3
2QQ0
5X8B
1MW8
1E2D
1N5L
4N76
2WWF
1CY1
1J54
1N5K
3HW4
4P9D
5F54
4S0N
4EDH
1G3U
2Q7U
5CCY
4NCA
1J53
2RDJ
3BGX
7JX1
1E2G
1FXO
5X86
2QXF
4CXO
4G06
1OI6
4DWP
4E10
4XR9
4E0Z
1E2F
1LCB
2CCJ
4DWJ
3LV8
4GTX
5ZB4
2CCG
4AVL
5ZAX
4E0Y
6Z9T
1N5I
4E5U
4O7T
5XAI
5CDM
1CY2
1H5S
2PAR
3B6P
5X8C
1CY8
1QZG
2O4G
1CY4
1E2Q
1Z4L
2FTO
4E0P
1GTV
4NCB
3UDG
1TYS
2IDO
2Q7T
5DBS
5T64
5T6B
5XB3
4O7S
5XB2
1GSI
3B6O
5UIV
4YNQ
7CSY
5D42
1E9C
1E9E
1VTK
3NDI
4S35
4KPY
7L4M
分子相关蛋白质
•
PDB Bank
数据登录号
•
PubChem SID
•
PubChem CID
•
CAS号
•
BKMS React数据库
•
BRENDA数据库
•
PDB数据库
•
MetaboLights数据库
•
PubMed文献链接
•
BRENDA Ligand数据库
•
CHEMBL
•
SABIO-RK数据库
•
ACToR数据库
•
KEGG ID
•
KNApSAcK数据库
•
UniProt数据库
•
Reaxys Registry
•
SureChEMBL数据库
•
PDBeChem数据库
•
CHEBI ID
•
Beilstein号
•
DrugBank ID
•
HMDB数据库
•
BioModels数据库
•
维基百科标题
数据登录号
PubChem SID
160964879
46504719
8145733
PubChem CID
9700
CAS号
365-07-1
BKMS React数据库
1020
135994
110358
174316
7159
1412
95197
21257
105136
95350
124700
2687
102265
30950
3315
635
104400
149650
7313
33094
2820
36544
20543
7344
BRENDA数据库
2.7.1.21
3.6.1.15
3.1.3.5
2.4.2.6
1.5.1.3
2.4.1.12
3.2.2.17
3.1.4.1
4.2.1.46
2.1.1.45
2.7.4.9
4.2.99.18
2.7.1.118
4.1.1.35
3.6.1.12
PDB数据库
6l18
1tmk
1e2e
1cy7
1e9f
4kx3
2qq0
5x8b
1mw8
1e2d
1n5l
4n76
2wwf
1cy1
1j54
1n5k
MetaboLights数据库
MTBLS154
MTBLS292
MTBLS379
MTBLS630
MTBLS229
MTBLS951
MTBLS745
MTBLS2795
MTBLS2559
MTBLS615
MTBLS751
MTBLS1572
MTBLS2825
MTBLS117
MTBLS1221
PubMed文献链接
23501933
7110140
22761426
8647821
2559771
23149755
23288848
22512654
23362972
23518161
BRENDA Ligand数据库
635
110358
20543
105136
33094
149650
1020
21257
2687
174316
135994
2820
7344
95350
CHEMBL
CHEMBL394429
SABIO-RK数据库
10310
91
9997
12091
479
90
88
7840
9984
9864
9972
495
10421
ACToR数据库
25086-81-1
108320-91-8
2642-43-5
KEGG ID
C00364
KNApSAcK数据库
C00019637
UniProt数据库
Q5RC69
O43012
Q9VWA2
Q7VRR4
A4IXD7
B0UWS8
Q32GW8
Q5HAJ7
Q5NFJ3
A0R981
P61410
A3EWL3
O50519
Q8P126
Q5M4W5
Reaxys Registry
47541
SureChEMBL数据库
SCHEMBL21257
PDBeChem数据库
TMPdF10
TdF10
CHEBI ID
CHEBI:15246
CHEBI:45762
CHEBI:46036
CHEBI:17013
CHEBI:45772
CHEBI:63549
CHEBI:10529
CHEBI:45759
CHEBI:14092
CHEBI:45926
CHEBI:47711
CHEBI:46013
Beilstein号
47541
DrugBank ID
DB01643
HMDB数据库
HMDB0001227
BioModels数据库
BIOMD0000000473
BIOMD0000000471
BIOMD0000000472
BIOMD0000000497
BIOMD0000000496
BIOMD0000001061
维基百科标题
Thymidine_monophosphate
4.1.1.23
3.1.15.1
3.6.1.65
2.7.1.146
1.1.1.44
6.2.1.26
3.1.3.35
2.4.99.8
3.6.1.6
3.1.3.7
1.1.1.205
1.14.11.3
2.7.4.4
2.4.2.3
2.7.7.59
3.2.2.10
2.7.8.6
2.7.1.145
2.1.1.148
3.6.1.24
3.1.4.39
2.7.4.33
3.6.1.23
3.6.1.5
2.7.1.147
4.6.1.19
3.1.3.34
6.3.4.4
2.4.2.14
2.7.1.77
3.1.3.32
2.7.4.12
2.7.4.13
3.6.1.9
3.5.1.23
3.1.30.1
2.7.1.76
3.5.4.12
2.7.1.113
2.7.4.B1
3.5.4.13
3.1.3.1
3.5.4.5
6.5.1.6
3.1.11.1
3.1.3.2
2.7.1.114
2.7.4.3
3.1.3.89
3.1.13.3
3.6.1.39
2.7.1.74
6.2.1.22
3.1.26.11
3hw4
4p9d
5f54
4s0n
4edh
1g3u
2q7u
5ccy
4nca
1j53
2rdj
3bgx
7jx1
1e2g
1fxo
5x86
2qxf
4cxo
4g06
1oi6
4dwp
4e10
4xr9
4e0z
1e2f
1lcb
2ccj
4dwj
3lv8
4gtx
5zb4
2ccg
4avl
5zax
4e0y
6z9t
1n5i
4e5u
4o7t
5xai
5cdm
1cy2
1h5s
2par
3b6p
5x8c
1cy8
1qzg
2o4g
1cy4
1e2q
1z4l
2fto
4e0p
1gtv
4ncb
3udg
1tys
2ido
2q7t
5dbs
5t64
5t6b
5xb3
4o7s
5xb2
1gsi
3b6o
5uiv
4ynq
7csy
5d42
1e9c
1e9e
1vtk
3ndi
4s35
4kpy
7l4m
MTBLS899
MTBLS106
MTBLS1757
MTBLS2406
MTBLS228
MTBLS359
MTBLS464
MTBLS2081
MTBLS1861
MTBLS926
MTBLS1569
MTBLS3003
MTBLS1782
MTBLS606
MTBLS225
MTBLS868
MTBLS2945
MTBLS4618
MTBLS530
MTBLS5345
1412
7313
30950
102265
95197
3315
104400
36544
7159
124700
B1L989
A5GF66
B7H7H5
A7ZA58
Q8DQK4
Q4JX59
P47469
P06785
Q8P1D1
A7NB78
Q2K6G8
Q98KH9
P08773
P32321
B2KER5
Q4L800
Q8DZM3
B5ERP0
B8I0T8
Q8UDS3
Q0T137
P06854
Q83BG2
Q8Z412
A6WGF9
B7V2Q5
B7GI39
A6WKP4
A1R8Y7
B7I4U0
Q8Y626
B4U7S5
Q8ZEJ1
Q7VFL1
A7NI79
A5UZV5
Q5KUI2
A1KB60
A6GXG2
Q4QM19
Q8E5C2
Q9ZIG2
Q28N04
A5IK18
Q9JM14
Q8NQH1
Q5P6J5
O67378
Q57KB6
Q9XC19
Q7MTB5
Q6G9D4
Q5GWB5
Q98Q31
Q02Y43
A9IW82
Q1LK81
P09250
B5E8U0
Q9R088
P43844
P0DB97
Q2A498
Q0BMN1
P04364
O28205
B7HT70
B7JBI2
A6W1R4
Q8EQG0
P44420
Q9RAM7
A6UB24
A7MXJ9
Q03F96
Q9I767
Q6ADF0
B8DBH0
B2G679
Q5HE81
Q66AM8
B8F407
B5XNI6
Q8DPZ6
P66921
A6VPG9
Q57688
Q8D8R2
Q7MLR4
B2VI25
O66833
A4TCI9
Q6GGY0
Q8EV81
P57515
Q12KG8
Q48U25
B7NVX2
O00142
A6T0T6
Q5XC70
Q97R22
B0K1F4
P0A3M0
C1CJD5
C5DAR2
Q603S2
Q3SH96
Q2KV15
Q8YGG7
B1MYF5
Q1QE01
B3QZX0
A9N2L7
P12462
P0A0M5
Q47II1
A1TM53
Q1BA64
Q667F9
Q9Z671
Q38WX8
Q1J744
P67049
Q81R23
Q0BMM0
B6IMT0
B0SUK3
Q09527
A5FEF4
Q74CR5
Q9ZMP7
O57203
Q0I555
B3GX82
Q59212
Q0C0I5
A7HJ69
P68564
A0QIU1
C1AFM7
Q89940
A5FJV8
A5VJK9
Q03YZ8
P45352
Q5HMA3
B0K7G9
B1AJN5
Q8G7X1
B7GKQ8
A1SJ31
C4ZZX9
Q2IYG7
Q32C94
Q7VUW7
Q5FMC0
Q3A4L9
A5VRE7
B0CHI7
P67048
Q6FER7
A1KAF7
Q6AFI0
A6M378
Q21V29
Q8KD79
Q03Y25
A1B0I7
Q3B2I7
Q65J44
Q57CA9
Q4UR35
Q87BT4
Q88W05
O96650
C1C631
Q8Y0U6
Q71YE1
A8H1B4
Q7V335
A1APU0
B4RB35
Q27176
P48230
Q5WH87
A5UDI4
P21293
B5ZCA9
P65231
P0C0E6
Q3K118
Q82KI9
Q2RZH4
A8F7B3
Q3Z0V3
P68563
P0AEI6
A9M657
P67046
Q1R7I6
Q6KIQ6
A3D1U3
Q8K9C3
A8YUW0
Q6MID2
A6VMA0
P00814
P30648
Q2YUN4
P34895
P61422
A8IGE6
C1DMY6
Q8NS38
Q87SA0
B8D981
O51547
Q72PY2
Q4FUZ8
Q4AAB2
Q9XB01
Q4JQW2
Q5FKL6
Q03S95
Q4A611
A1W5A4
Q2A486
A5CYB7
P18030
Q0BTE6
A4ITJ9
B3E1Z8
C3PBW1
B0S1N3
A0M3N2
Q8P3C8
Q17YS0
A5UI33
Q5PCT4
Q7CQF3
B5Z9V7
P23335
Q6HJC7
B0UWT7
Q6LUM1
B7N759
A4SVT7
P0CS12
Q73VZ2
B7LNI2
Q1GAP2
C1D070
Q8E4L6
A7ZQT3
B7UHP4
P07606
Q3BM98
B2US14
Q57NR0
P47848
P0DB96
C1CD36
A1AF39
Q64PV5
B2S0U9
Q607U4
Q1H003
Q74LC1
Q927V4
B2J2A2
A1KMA6
Q9UTI7
A1UEU8
Q1LSU0
Q5WSU5
Q92AD4
Q7UQN2
Q492D5
Q6GEV6
Q4UNV0
C6E348
B6JPT2
B8CYJ3
A6TMN5
Q8PEQ8
Q49Z66
P56089
Q2GHF1
Q9PPP5
Q9WZP7
A7GKR4
P04818
Q8ZMA9
Q2NZH9
Q15P51
A8GIH7
Q8A639
P0C0M5
Q8DUI4
B8D7X0
A3QBR4
P18029
Q90033
Q48TL1
Q8RDA1
Q9JFB7
C3L627
Q12X17
Q2W4T2
B0SEF8
Q6F211
B1ZJN1
P57830
Q6YR37
P0A884
Q0C504
A0Q7B4
P0DG67
P67050
A0R2V7
Q8EM73
Q9XAY7
Q64TA1
Q8K2D6
P65230
Q8CRM9
Q14GZ5
Q5QXT4
B7JN72
Q8FTH8
Q2YS22
A9KF61
Q2NAR9
P16600
Q9WYN2
Q2FF09
Q5FNK4
P66920
P07607
A5ISV8
Q5WDS1
P78029
Q6G2S8
Q07YY3
C1D4I5
A4W0V3
A7NB66
Q8DU63
A0LTK3
Q8UAS8
Q92NQ5
Q6F145
Q57931
Q6D8I6
B0SMI6
C1KYV6
Q82UP9
P80305
A8FEB9
A8Z406
A6UYE6
P0DG66
A5WHY0
Q7VUE3
Q98QM2
Q15WB3
A8AKT0
A5CCC4
A4XG66
Q2KUS6
Q2KIA9
B8E6W1
A4X6P4
Q1QJT8
Q7UID0
A5EPD3
A5UI47
Q04FR4
Q5L9L6
P0A885
Q73WG1
Q2GEI3
Q87WC1
Q32D21
P0A827
A6TGQ0
Q03NS1
Q87VY6
A0AFC5
Q57H62
A4VQX9
P22649
B1XTC3
A8M9N4
B9J2L5
A1BGM7
A6M1W6
Q4J6F2
Q73VZ6
Q9PJ85
Q63MV1
P0A2E2
B0TJY5
A4XYV5
O25514
B4TQK3
P28852
P06773
Q5FG30
B2SGE5
Q2IM25
E0U0H8
P0CS13
A1BE30
Q3A934
P07382
P0AGG0
B6YTN5
P17402
Q2G5F0
Q2SSX9
Q9QNF7
P47280
B2HWQ7
Q0A8S2
Q9PB13
A9WDL8
Q5L6R5
B1IEG6
A7MJ80
Q0STA1
O86840
Q9UZ51
Q8U3C9
Q8THH4
Q21U56
P48464
C6DAE9
Q8DER9
P78011
A1AIG4
Q8TMD6
B6INN5
A5D4K4
A9AZD9
B4U6B2
Q9UZQ5
Q4A6A3
Q6KHH3
Q7WF72
C3PH05
Q4UK96
A8F2M5
Q38ZM1
Q1I4H6
A3CS45
Q8ESZ3
P57930
Q7V8I3
A3PTW9
B2G7Q4
Q8PS49
Q1BEL9
P19649
C1FQ94
D3DKC4
C4ZH69
Q1CUX5
Q8D2N4
Q5R064
A7FQF9
Q30P60
P13159
Q6A8W6
Q2K5N6
Q0K889
Q5V325
A1T7Q0
Q729U4
Q5FG35
A8FSQ9
Q738X7
C3LST0
Q2FH11
P57376
P59432
Q0SMQ5
A1R032
Q6N622
Q7Y4Y9
C0QR82
Q8U192
Q5V0G6
A2CB21
P9WG75
A5ULP4
Q92EW5
B2GBV5
B0KJV8
Q02YS6
Q9L9I8
B3CTZ1
Q27173
A8FIR6
A9VRN4
Q1IX16
Q4UM78
Q8EBN8
Q830K5
A8A793
Q8RI59
Q8XTQ1
A1KFN6
B4T0Z5
Q6DAM1
Q1D282
B5F1H6
Q58167
A7G9N9
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