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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
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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
Thymidine monophosphate
Deoxythymidine 5'-phosphate
Thymidine 5'MP
Thymidine 5'-(dihydrogen phosphate)
Deoxythymidylic acid
3'-Tmp
Deoxythymidine 5'-monophosphate
3'-Thymidylic acid
Poly t
Deoxythymidine phosphate
Deoxythymidine monophosphate
Thymidine 5'-phosphate
Poly(t)
Thymidine 5'-phosphoric acid
5'-TMP
Thymidine-5'-Phosphate
Polythymidine
Thymidylic acid polymer
Deoxyribosylthymine monophosphate
DTMP
5-Methyl-dUMP
Thymidine mononucleotide
DPT
Thymidine-5'-monophosphoric acid
2'-Deoxythymidine 5'-monophosphate
Polythymidylic acid
Thymidylate
5'-dTMP
Octothymidylate
Thymidine-5'-Monophosphate
Polydeoxyribothymidylic acid
Thymidine phosphate
Thymidylic acid
Polydeoxythymidylic acid
5'-Thymidylic acid
TMP
Deoxy TMP
Deoxythymydilic acid
Poly(DT)
thymidine-5'-monophosphoric acid
thymidine 5'-phosphoric acid
dTMP
5'-Thymidylic acid
ribothymidine 5'-monophosphate
Thymidine 5'-phosphate
Thymidylate
Thymidine monophosphate
5'-TMP
5-methyl-dUMP
(dT)1
TMP
Thymidylic acid
thymidine 5'-(dihydrogen phosphate)
THYMIDINE-5'-PHOSPHATE
deoxyribosylthymine monophosphate
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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1TMK
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4N76
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2WWF
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5X8B
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1E2D
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1CY7
1E9F
1N5L
6L18
4KX3
1E2E
1MW8
2QQ0
2PAR
4AVL
4E5U
5XAI
1CY1
2Q7U
3HW4
3BGX
1E2Q
4G06
5X86
1Z4L
2QXF
4EDH
1E2F
1LCB
4P9D
2O4G
2RDJ
4GTX
5ZB4
1H5S
6Z9T
1J53
1QZG
2FTO
4O7T
2CCJ
1N5I
3LV8
4E0P
4DWP
1CY4
1CY2
2CCG
4NCA
4XR9
4DWJ
5ZAX
4S0N
7JX1
1E2G
1FXO
1N5K
5F54
1G3U
1OI6
4E10
4E0Z
4CXO
5CDM
1J54
3B6P
5CCY
5X8C
4E0Y
1CY8
3UDG
1GSI
2IDO
3NDI
1TYS
2Q7T
5D42
1E9E
4S35
7CSY
3B6O
5UIV
1GTV
4O7S
4NCB
1E9C
5T6B
4KPY
4YNQ
7L4M
5DBS
5XB2
1VTK
5T64
5XB3
分子相关蛋白质
•
PDB Bank
数据登录号
•
PubChem SID
•
PubChem CID
•
CAS号
•
PubMed文献链接
•
BRENDA数据库
•
BRENDA Ligand数据库
•
MetaboLights数据库
•
PDB数据库
•
KNApSAcK数据库
•
BKMS React数据库
•
CHEMBL
•
UniProt数据库
•
KEGG ID
•
ACToR数据库
•
SABIO-RK数据库
•
SureChEMBL数据库
•
Reaxys Registry
•
CHEBI ID
•
BioModels数据库
•
DrugBank ID
•
PDBeChem数据库
•
维基百科标题
•
Beilstein号
•
HMDB数据库
数据登录号
PubChem SID
160964879
46504719
8145733
PubChem CID
9700
CAS号
365-07-1
PubMed文献链接
7110140
2559771
23501933
22761426
8647821
23288848
23149755
22512654
23518161
23362972
BRENDA数据库
4.2.1.46
1.1.1.44
2.1.1.45
1.14.11.3
4.1.1.23
3.6.1.6
2.7.1.21
2.7.4.4
3.1.4.1
1.1.1.205
1.5.1.3
3.6.1.65
3.1.3.35
2.7.7.59
2.7.4.9
BRENDA Ligand数据库
20543
149650
2687
174316
33094
635
105136
1020
21257
110358
7313
2820
1412
135994
MetaboLights数据库
MTBLS2559
MTBLS630
MTBLS229
MTBLS1757
MTBLS292
MTBLS2825
MTBLS1221
MTBLS751
MTBLS106
MTBLS1572
MTBLS899
MTBLS2795
MTBLS117
MTBLS154
MTBLS615
PDB数据库
1tmk
4n76
2wwf
5x8b
1e2d
1cy7
1e9f
1n5l
6l18
4kx3
1e2e
1mw8
2qq0
2par
4avl
4e5u
KNApSAcK数据库
C00019637
BKMS React数据库
1020
110358
102265
2687
21257
174316
95197
1412
105136
95350
124700
CHEMBL
CHEMBL394429
UniProt数据库
O43012
Q5RC69
Q74CR5
B3E1Z8
Q0I555
B7JN72
Q2YS22
Q6HJC7
Q6KIQ6
P78029
Q8E4L6
P34895
Q57NR0
Q57931
O51547
KEGG ID
C00364
ACToR数据库
25086-81-1
2642-43-5
108320-91-8
SABIO-RK数据库
10310
88
7840
9984
9997
12091
479
9972
91
90
9864
10421
495
SureChEMBL数据库
SCHEMBL21257
Reaxys Registry
47541
CHEBI ID
CHEBI:14092
CHEBI:15246
CHEBI:45926
CHEBI:10529
CHEBI:63549
CHEBI:47711
CHEBI:46036
CHEBI:45759
CHEBI:46013
CHEBI:45772
CHEBI:45762
CHEBI:17013
BioModels数据库
BIOMD0000000497
BIOMD0000000496
BIOMD0000000473
BIOMD0000000472
BIOMD0000001061
BIOMD0000000471
DrugBank ID
DB01643
PDBeChem数据库
TdF10
TMPdF10
维基百科标题
Thymidine_monophosphate
Beilstein号
47541
HMDB数据库
HMDB0001227
2.7.1.118
4.1.1.35
4.2.99.18
3.1.15.1
3.6.1.12
6.2.1.26
2.4.99.8
2.4.1.12
2.4.2.3
3.1.3.5
3.2.2.17
3.6.1.15
3.2.2.10
2.7.1.146
2.4.2.6
3.1.3.7
3.6.1.5
2.7.4.13
2.7.4.33
3.6.1.23
3.1.30.1
4.6.1.19
2.7.1.145
2.1.1.148
2.7.1.77
6.3.4.4
3.6.1.24
2.7.8.6
3.5.1.23
3.1.3.34
2.4.2.14
2.7.4.12
3.6.1.9
3.1.3.32
2.7.1.76
3.1.4.39
2.7.1.147
2.7.1.74
2.7.4.3
3.5.4.13
3.1.3.1
3.1.26.11
3.5.4.12
3.1.11.1
3.1.3.2
3.5.4.5
6.5.1.6
2.7.1.114
2.7.4.B1
2.7.1.113
3.1.3.89
6.2.1.22
3.1.13.3
3.6.1.39
102265
7344
95350
30950
104400
95197
36544
124700
3315
7159
MTBLS745
MTBLS951
MTBLS379
MTBLS926
MTBLS1861
MTBLS1569
MTBLS2406
MTBLS3003
MTBLS228
MTBLS2081
MTBLS359
MTBLS464
MTBLS5345
MTBLS2945
MTBLS4618
MTBLS868
MTBLS530
MTBLS225
MTBLS1782
MTBLS606
5xai
1cy1
2q7u
3hw4
3bgx
1e2q
4g06
5x86
1z4l
2qxf
4edh
1e2f
1lcb
4p9d
2o4g
2rdj
4gtx
5zb4
1h5s
6z9t
1j53
1qzg
2fto
4o7t
2ccj
1n5i
3lv8
4e0p
4dwp
1cy4
1cy2
2ccg
4nca
4xr9
4dwj
5zax
4s0n
7jx1
1e2g
1fxo
1n5k
5f54
1g3u
1oi6
4e10
4e0z
4cxo
5cdm
1j54
3b6p
5ccy
5x8c
4e0y
1cy8
3udg
1gsi
2ido
3ndi
1tys
2q7t
5d42
1e9e
4s35
7csy
3b6o
5uiv
1gtv
4o7s
4ncb
1e9c
5t6b
4kpy
4ynq
7l4m
5dbs
5xb2
1vtk
5t64
5xb3
135994
7159
3315
30950
7313
33094
635
149650
104400
7344
20543
2820
36544
C1KYV6
A1UEU8
Q1LSU0
Q71YE1
Q7VRR4
Q0BTE6
Q32GW8
B8CYJ3
Q8PEQ8
P68564
Q5P6J5
Q57KB6
Q9XC19
A8GIH7
Q73VZ2
B7LNI2
Q1LK81
P45352
B2US14
Q4L800
Q9R088
P04364
B2S0U9
Q7VUW7
Q57CA9
A5VRE7
Q6FER7
A0R2V7
B5XNI6
P66921
Q59212
Q7MLR4
P16600
Q9WYN2
Q9JM14
P66920
Q6LUM1
Q5GWB5
Q5WDS1
Q8A639
Q8EV81
Q98Q31
Q8DUI4
A5FJV8
Q12KG8
Q98KH9
O00142
Q5XC70
P0DB97
Q8RDA1
Q9JFB7
Q92NQ5
Q2IYG7
Q32C94
Q2KV15
Q6YR37
Q3A4L9
Q65J44
A8Z406
Q1BA64
Q38WX8
Q7V335
Q14GZ5
Q7VFL1
B2VI25
Q2NAR9
Q8P1D1
Q2K6G8
P32321
Q48TL1
Q97R22
B0K7G9
B0K1F4
B7GKQ8
Q8YGG7
A9N2L7
Q667F9
Q8Y626
Q98QM2
B4U7S5
Q66AM8
Q5HAJ7
Q4QM19
Q8E5C2
A4TCI9
P09250
P0DB96
P0A3M0
B7JBI2
A1AF39
Q0T137
Q9I767
Q927V4
B2J2A2
B7V2Q5
P0A0M5
Q9Z671
O96650
Q7UQN2
A1APU0
Q8K2D6
Q492D5
Q5KUI2
Q5QXT4
B3GX82
P56089
Q28N04
B5Z9V7
B1L989
Q0C0I5
A7HJ69
Q9PPP5
P68563
Q8NQH1
A8YUW0
Q02Y43
A6VMA0
P61422
Q9XB01
P80305
Q4JQW2
Q4UR35
Q03S95
B7I4U0
Q2A486
P67050
A5CYB7
A8AKT0
B0UWS8
Q6GEV6
B5ZCA9
P0C0E6
Q2RZH4
P0AEI6
O66833
P04818
P0CS12
Q1GAP2
P0C0M5
P00814
B2KER5
Q8DZM3
B1ZJN1
P57830
P0A884
B3QZX0
Q5FKL6
A1R8Y7
Q8EM73
B0SUK3
Q8FTH8
A5UI33
Q8P126
Q9WZP7
B7N759
A4SVT7
Q6G2S8
A9IW82
B8D7X0
A3QBR4
A4W0V3
Q3BM98
B5E8U0
P47848
O28205
Q8UAS8
P44420
Q12X17
Q9RAM7
Q03F96
Q74LC1
Q3B2I7
Q0C504
Q5WSU5
A5WHY0
B4RB35
Q27176
Q3K118
Q7CQF3
A5ISV8
P67046
A3D1U3
Q07YY3
P30648
Q2YUN4
A0LTK3
Q64PV5
Q87SA0
B8D981
Q72PY2
Q1H003
Q4FUZ8
Q4AAB2
Q4A611
P0DG66
Q21V29
A5FEF4
Q4UNV0
P21293
Q9ZMP7
Q82KI9
A7GKR4
A9M657
A0QIU1
Q8ZMA9
P06785
Q8K9C3
Q6MID2
C1D4I5
A7NB66
P43844
Q8DU63
B7HT70
A8IGE6
C1DMY6
A1SJ31
Q6D8I6
A8FEB9
Q88W05
A6M378
Q8KD79
Q09527
A5UZV5
A4ITJ9
C3PBW1
Q8D8R2
A0M3N2
A6GXG2
Q49Z66
Q9ZIG2
Q8DQK4
C1AFM7
Q03YZ8
P18029
B1AJN5
Q0BMN1
Q8G7X1
A6UB24
Q2W4T2
B0SEF8
Q6F211
Q03Y25
A1KMA6
B0CHI7
A1TM53
P67049
A0Q7B4
P0DG67
A5UDI4
A7NI79
A6VPG9
B0S1N3
A5GF66
B7H7H5
A7ZA58
O67378
P47469
Q7MTB5
Q6G9D4
B7UHP4
P07606
P08773
A6W1R4
C1CD36
C4ZZX9
Q8EQG0
Q8NS38
P06854
B8DBH0
B2G679
A1B0I7
P12462
Q8Z412
Q9UTI7
Q87BT4
C1C631
A1W5A4
Q92AD4
Q0BMM0
A5CCC4
A4XG66
Q9VWA2
A4IXD7
Q5NFJ3
A9KF61
A3EWL3
Q5M4W5
Q2FF09
Q15P51
P57515
A5VJK9
A7NB78
Q48U25
B7NVX2
A6T0T6
C1CJD5
Q8UDS3
C5DAR2
Q603S2
Q3SH96
Q5FMC0
Q6ADF0
B1MYF5
Q83BG2
A6WGF9
A6UYE6
Q47II1
A6WKP4
Q6AFI0
Q81R23
B6IMT0
Q5HE81
P65230
C6E348
B8F407
Q8DPZ6
O57203
Q5PCT4
A5IK18
Q6GGY0
Q89940
Q5HMA3
Q1QE01
Q82UP9
P67048
A1KAF7
Q8Y0U6
A8H1B4
Q7VUE3
Q15WB3
Q9XAY7
P48230
P18030
B6JPT2
A0R981
P61410
Q57688
P65231
Q17YS0
P23335
Q2GHF1
Q3Z0V3
Q4JX59
B0UWT7
Q2NZH9
A7ZQT3
Q90033
B5ERP0
C3L627
B7GI39
Q1J744
Q64TA1
Q8ZEJ1
Q8CRM9
A6TMN5
A1KB60
Q8P3C8
O50519
A8F7B3
Q5FNK4
P07607
Q1R7I6
C1D070
Q2A498
B8I0T8
Q6F145
A7MXJ9
Q607U4
B0SMI6
Q5WH87
Q0STA1
Q30R29
P48464
Q9K7B5
Q8EWD1
P78011
A0QQK7
B0UML5
Q7WF72
A8M1D3
B5RFJ1
Q1I4H6
B9M0W5
Q8XFQ8
Q31ZS8
P67045
E0U0H8
Q5JI17
A6LP90
Q0K889
A1S3W8
B3ED41
O86840
Q48CP3
Q68W07
A9N1W0
Q2SA17
Q0T1W9
Q8TMD6
Q27182
Q7P1R3
Q186F8
A5U6A7
Q0HXJ6
Q57LF7
A4IN28
A4W5B6
Q8ESZ3
Q2FM63
C1FQ94
B1IE18
Q05880
Q2P902
Q9HNP1
Q9WYT0
P27158
P03176
A5VQD7
B7GFF9
Q2KUS6
B8E6W1
A4YW97
Q8Y4B2
Q1MS11
Q87WC1
Q7Y4Y9
Q7V0I3
B5BJR2
A0AFC5
B1XTC3
A8M9N4
Q73VZ6
A7IA09
A4XYV5
P28852
P0C8I6
P06773
Q81Z95
P0CS13
B6YTN5
Q8Y4A7
Q2K5N6
Q0A8S2
A9NG27
Q31I55
Q2FH11
Q8FB78
Q8U192
P9WG75
A9AZD9
Q1IX16
Q4UM78
Q8EBN8
Q8RI59
Q8YX72
B4T0Z5
Q6DAM1
B5F1H6
B2G7Q4
Q58167
A7G9N9
Q5H6C5
A9AYB7
Q2YY40
A0RQ16
Q54757
Q5X7B5
A3M7Q1
A9WDL8
Q2KIA9
Q8THH4
Q04FR4
B9E8F5
Q04FR7
A1S4B5
Q602R3
Q87VY6
A5IXK9
Q4A6A3
P49755
P40386
O25514
A4XBL2
B2TWI0
D3DKC4
B0TI64
C4ZH69
C1EVE6
Q8D2N4
A7ZFA4
P16126
P0AGG0
P13159
Q5ZXU5
Q927U9
Q7W3U2
A7MJ80
Q5FG35
A3QC57
P00471
C0QWM9
Q2G646
A7ZUK8
C0QR82
B6INN5
Q02YS6
A5HY32
Q46HB6
Q4J6F2
A3CS45
A1KFN6
Q9JWI2
Q2RGI8
Q0I131
Q97RS5
Q2FSV9
Q9KMP4
B2TQ13
A4INY1
P0A885
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