IngredientID 36181

Uridine diphosphate

C15H24N2O17P2

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Herb: 12Ingredient: 1Target: 17Links: 32
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
36181
Core Entity Id
43408
Source Entity Count
1
Preferred Name
Uridine diphosphate
Name En
Pubchem Id
16667346
Smiles Canonical
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
Molecular Formula
C15H24N2O17P2
Molecular Weight
404.1610
Inchikey
HSCJRCZFDFQWRP-JZMIEXBBSA-N
Inchi
InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
Isomeric Smiles
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O
Cas Id
133-89-1
Ob Score
28.4660
Mol Logp
-2.6179
Num H Donors
6
Num H Acceptors
10
Num Rotatable Bonds
6
Drug Likeness
0.1270
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Uridine Diphosphate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Uridine Diphosphate Glucose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
URIDINE DIPHOSPHATE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
URIDINE DIPHOSPHATE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Uridine Diphosphate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Uridine Diphosphate Glucose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Uridine diphosphate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Uridine diphosphate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Uridine diphosphate glucose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Uridine diphosphate glucose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Uridine diphosphate glucose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Uridine diphosphate glucose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
(UDP)glucose
Role
alias
Source
TCMBank
Preferred
No
Name
(UPD)-glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
(UPD)-glucose
Role
alias
Source
TCMBank
Preferred
No
Name
133-89-1
Role
alias
Source
HERB_v2
Preferred
No
Name
133-89-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
152697-45-5
Role
alias
Source
TCMBank
Preferred
No
Name
152697-45-5
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,4(1H,3H)-pyrimidinedione, 1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-ribofuranosyl]-
Role
alias
Source
TCMBank
Preferred
No
Name
5'-UDP
Role
alias
Source
HERB_v2
Preferred
No
Name
5'-UDP
Role
alias
Source
TCMBank
Preferred
No
Name
5'-UDP
Role
alias
Source
itcmdb_public
Preferred
No
Name
58-98-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
58-98-0
Role
alias
Source
HERB_v2
Preferred
No
Name
C00015
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:17659
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 200-409-6
Role
alias
Source
TCMBank
Preferred
No
Name
Lopac0_001205
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00163324-01
Role
alias
Source
TCMBank
Preferred
No
Name
UDP
Role
alias
Source
itcmdb_public
Preferred
No
Name
UDP
Role
alias
Source
HERB_v2
Preferred
No
Name
UDP-D-glucose
Role
alias
Source
TCMBank
Preferred
No
Name
UDP-D-glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
UDP-Glc
Role
alias
Source
SymMap_v2
Preferred
No
Name
UDP-Glc
Role
alias
Source
TCMBank
Preferred
No
Name
UDP-a-D-Glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
UDP-a-D-Glucose
Role
alias
Source
HERB_v2
Preferred
No
Name
UDP-a-D-Glucose
Role
alias
Source
TCMBank
Preferred
No
Name
UDP-a-D-Glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
UDP-alpha-D-Glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
UDP-alpha-D-Glucose
Role
alias
Source
HERB_v2
Preferred
No
Name
UDP-alpha-delta-Glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
UDP-alpha-delta-Glucose
Role
alias
Source
TCMBank
Preferred
No
Name
UDP-delta-glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
UDP-delta-glucose
Role
alias
Source
TCMBank
Preferred
No
Name
UDP-glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
UDP-glucose
Role
alias
Source
HERB_v2
Preferred
No
Name
UDPG
Role
alias
Source
HERB_v2
Preferred
No
Name
UDPG
Role
alias
Source
itcmdb_public
Preferred
No
Name
UDPglucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
URIDINE-5'-DIPHOSPHATE-GLUCOSE
Role
alias
Source
itcmdb_public
Preferred
No
Name
URIDINE-5'-DIPHOSPHATE-GLUCOSE
Role
alias
Source
HERB_v2
Preferred
No
Name
Uridine 5'-(trihydrogen diphosphate)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Uridine 5'-(trihydrogen diphosphate)
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-(trihydrogen diphosphate)
Role
alias
Source
HERB_v2
Preferred
No
Name
Uridine 5'-(trihydrogen diphosphate) (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-(trihydrogen diphosphate-P-32P) (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-(trihydrogen pyrophosphate)
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-(trihydrogen pyrophosphate) (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-diphosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Uridine 5'-diphosphate
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-diphosphate glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
Uridine 5'-diphosphate glucose
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-diphospho-a-D-glucose
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-diphospho-a-D-glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
Uridine 5'-diphospho-alpha-D-glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
Uridine 5'-diphospho-alpha-D-glucose
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-diphospho-alpha-delta-glucose
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-diphospho-alpha-delta-glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
Uridine 5'-pyrophosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Uridine 5'-pyrophosphate
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-pyrophosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Uridine 5'-pyrophosphate a-D-glucopyranosyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-pyrophosphate a-D-glucopyranosyl ester
Role
alias
Source
SymMap_v2
Preferred
No
Name
Uridine 5'-pyrophosphate a-delta-glucopyranosyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-pyrophosphate a-delta-glucopyranosyl ester
Role
alias
Source
SymMap_v2
Preferred
No
Name
Uridine 5'-pyrophosphoric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Uridine 5'-pyrophosphoric acid
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine 5'-pyrophosphoric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Uridine diphosphate (6CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine diphosphate-glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
Uridine diphospho-D-glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
Uridine diphospho-D-glucose
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine diphospho-delta-glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
Uridine diphospho-delta-glucose
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine diphosphoglucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
Uridine diphosphoglucose
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine pyrophosphate (7CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Uridine pyrophosphate-glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
Uridine pyrophosphate-glucose
Role
alias
Source
TCMBank
Preferred
No
Name
[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Role
alias
Source
TCMBank
Preferred
No
Name
[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
Role
alias
Source
TCMBank
Preferred
No
Name
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Role
alias
Source
TCMBank
Preferred
No
Name
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Role
alias
Source
TCMBank
Preferred
No
Name
[({[(2S,3R,4S,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
[({[(2S,3R,4S,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid
Role
alias
Source
TCMBank
Preferred
No
Name
co-galactoisomerase
Role
alias
Source
HERB_v2
Preferred
No
Name
co-galactoisomerase
Role
alias
Source
itcmdb_public
Preferred
No
Name
co-waldenase
Role
alias
Source
HERB_v2
Preferred
No
Name
co-waldenase
Role
alias
Source
itcmdb_public
Preferred
No
Name
uridine diphosphate glucose
Role
alias
Source
TCMBank
Preferred
No
Name
uridine-5'-diphosphate
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Uridine Diphosphate Glucose((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate(UDP)glucose(UPD)-glucose133-89-1152697-45-52,4(1H,3H)-pyrimidinedione, 1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-ribofuranosyl]-5'-UDP58-98-0C00015CHEBI:17659EINECS 200-409-6Lopac0_001205NCGC00163324-01UDPUDP-D-glucoseUDP-GlcUDP-a-D-GlucoseUDP-alpha-D-GlucoseUDP-alpha-delta-GlucoseUDP-delta-glucoseUDP-glucoseUDPGUDPglucoseURIDINE-5'-DIPHOSPHATE-GLUCOSEUridine 5'-(trihydrogen diphosphate)Uridine 5'-(trihydrogen diphosphate) (9CI)Uridine 5'-(trihydrogen diphosphate-P-32P) (9CI)Uridine 5'-(trihydrogen pyrophosphate)Uridine 5'-(trihydrogen pyrophosphate) (8CI)Uridine 5'-diphosphateUridine 5'-diphosphate glucoseUridine 5'-diphospho-a-D-glucoseUridine 5'-diphospho-alpha-D-glucoseUridine 5'-diphospho-alpha-delta-glucoseUridine 5'-pyrophosphateUridine 5'-pyrophosphate a-D-glucopyranosyl esterUridine 5'-pyrophosphate a-delta-glucopyranosyl esterUridine 5'-pyrophosphoric acidUridine diphosphate (6CI)Uridine diphosphate-glucoseUridine diphospho-D-glucoseUridine diphospho-delta-glucoseUridine diphosphoglucoseUridine pyrophosphate (7CI)Uridine pyrophosphate-glucose[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate[({[(2S,3R,4S,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acidco-galactoisomeraseco-waldenaseuridine-5'-diphosphate

Cross References

Trusted external identifiers retained for this final record.

Cas
133-89-1
Herb
HBIN047581HBIN047582
Npass
NPC283698NPC50767
Tcmid
22237
Tcmsp
MOL013048MOL013049
Sym Map
SMIT01080SMIT13752
Pub Chem
166673465347767960318629
Tcmbank
TCMBANKIN021221TCMBANKIN037745
Drug Bank
DB01861
Etcm Ingredient
URIDINE DIPHOSPHATEUridine diphosphate glucose
Itcmdb Generated
ITX-INGREDIENT-6FC7CCF93513ITX-INGREDIENT-B2ABDE5C653E

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Mol Wt
404.1610000000001566.3020000000004
Cas Id
133-89-1
Smiles
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)OC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
Mol Log P
-2.6179-4.793699999999996
Version
v1,v2
In Ch Ikey
HSCJRCZFDFQWRP-JZMIEXBBSA-NXCCTYIAWTASOJW-XVFCMESISA-N
Ob Score
28.46628.46623328.466233017.9369016727.9369027.937
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/22253.mol2
Reference
658
Num Hdonors
69
Drug Likeness
0.1270.269
Num Hacceptors
1016
Isomeric Smiles
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)OC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
Molecule Weight
404.19566.35
Canonical Smiles
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)OC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
Herb Alias Names
Uridine 5'-diphosphate58-98-0uridine-5'-diphosphateUridine 5'-(trihydrogen diphosphate)UDP5'-UDPUridine 5'-pyrophosphateUridine 5'-pyrophosphoric acid((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
Molecular Weight
404.000566.060
Molecular Weight
566.3
Molecule Formula
C15H24N2O17P2
Molecular Formula
C15H24N2O17P2C9H14N2O12P2
Molecular Formula
C15H24N2O17P2
Molecular Formula
C15H24N2O17P2C9H14N2O12P2
Num Rotatable Bonds
69
Fda Maximum Daily Dose (Fdamdd)
0.0220.761
Quantitative Estimate Of Drug Likeness(Qed)
0.1390.369