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Herb: 11Ingredient: 1Target: 24Links: 35
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14126
- Core Entity Id
- 18870
- Source Entity Count
- 1
- Preferred Name
- Pcg
- Name En
- Pubchem Id
- 135398570
- Smiles Canonical
- C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O
- Molecular Formula
- C10H12N5O7P
- Molecular Weight
- 345.2080
- Inchikey
- ZOOGRGPOEVQQDX-UUOKFMHZSA-N
- Inchi
- InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
- Isomeric Smiles
- C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O
- Cas Id
- 7665-99-8
- Ob Score
- 3.7648
- Mol Logp
- -1.5241
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cgmp
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Pcg
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cgmp
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cgmp
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cgmp
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cyclic gmp
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cyclic gmp
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
PCG
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Pcg
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pcg
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pcg
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
cGMP
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
cyclic gmp
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3 inverted exclamation marka,5 inverted exclamation marka-Cyclic GMP monosodium salt
Role
alias
Source
SymMap_v2
Preferred
No
Name
3 inverted exclamation marka,5 inverted exclamation marka-cGMP-Na
Role
alias
Source
SymMap_v2
Preferred
No
Name
3',5'-Cyclic GMP monosodium salt
Role
alias
Source
SymMap_v2
Preferred
No
Name
3',5'-cGMP-Na
Role
alias
Source
SymMap_v2
Preferred
No
Name
3',5'-cyclic GMP
Role
alias
Source
HERB_v2
Preferred
No
Name
3',5'-cyclic GMP
Role
alias
Source
itcmdb_public
Preferred
No
Name
40732-48-7
Role
alias
Source
SymMap_v2
Preferred
No
Name
6WYT1TNR45
Role
alias
Source
SymMap_v2
Preferred
No
Name
7032AH
Role
alias
Source
SymMap_v2
Preferred
No
Name
7665-99-8
Role
alias
Source
HERB_v2
Preferred
No
Name
7665-99-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10H11N5O7P.Na
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cyclic 3',5'-Guanosine Monophosphate Monosodium Salt
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cyclic guanosine monophosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclic guanosine monophosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 255-056-0
Role
alias
Source
SymMap_v2
Preferred
No
Name
Guanosine 3 inverted exclamation marka,5 inverted exclamation marka-cyclic monophosphate sodium salt
Role
alias
Source
SymMap_v2
Preferred
No
Name
Guanosine 3 inverted exclamation marka,5 inverted exclamation marka-cyclophosphate monosodium salt
Role
alias
Source
SymMap_v2
Preferred
No
Name
Guanosine 3',5'-cyclic monophosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Guanosine 3',5'-cyclic monophosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Guanosine 3',5'-cyclic monophosphate sodium salt
Role
alias
Source
SymMap_v2
Preferred
No
Name
Guanosine 3',5'-cyclic monophosphate sodium salt, >=99% (HPLC), powder
Role
alias
Source
SymMap_v2
Preferred
No
Name
Guanosine 3',5'-cyclic monophosphate sodium salt, >=99.0% (HPLC)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Guanosine 3',5'-cyclophosphate monosodium salt
Role
alias
Source
SymMap_v2
Preferred
No
Name
Guanosine 3',5'-monophosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Guanosine 3',5'-monophosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Guanosine Cyclic 3',5'-(Hydrogen phosphate) Sodium Salt
Role
alias
Source
SymMap_v2
Preferred
No
Name
Guanosine Monophosphate Monosodium Salt
Role
alias
Source
SymMap_v2
Preferred
No
Name
Guanosine cyclic monophosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Guanosine cyclic monophosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Guanosine, cyclic 3',5'-(hydrogen phosphate), monosodium salt
Role
alias
Source
SymMap_v2
Preferred
No
Name
MFCD00038424
Role
alias
Source
SymMap_v2
Preferred
No
Name
MolPort-003-935-439
Role
alias
Source
SymMap_v2
Preferred
No
Name
Monosodium-GMP
Role
alias
Source
SymMap_v2
Preferred
No
Name
SODIUM 3',5'-CYCLIC GMP ANION
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sodium guanosine cyclic monophosphate
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-6WYT1TNR45
Role
alias
Source
SymMap_v2
Preferred
No
Name
cGMP
Role
alias
Source
HERB_v2
Preferred
No
Name
cGMP
Role
alias
Source
itcmdb_public
Preferred
No
Name
cyclic gmp
Role
alias
Source
itcmdb_public
Preferred
No
Name
cyclic gmp
Role
alias
Source
SymMap_v2
Preferred
No
Name
cyclic-GMP
Role
alias
Source
HERB_v2
Preferred
No
Name
guanosine 3',5'-cyclic phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
guanosine 3',5'-cyclic phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CgmpCyclic gmp3 inverted exclamation marka,5 inverted exclamation marka-Cyclic GMP monosodium salt3 inverted exclamation marka,5 inverted exclamation marka-cGMP-Na3',5'-Cyclic GMP monosodium salt3',5'-cGMP-Na3',5'-cyclic GMP40732-48-76WYT1TNR457032AH7665-99-8C10H11N5O7P.NaCyclic 3',5'-Guanosine Monophosphate Monosodium SaltCyclic guanosine monophosphateEINECS 255-056-0Guanosine 3 inverted exclamation marka,5 inverted exclamation marka-cyclic monophosphate sodium saltGuanosine 3 inverted exclamation marka,5 inverted exclamation marka-cyclophosphate monosodium saltGuanosine 3',5'-cyclic monophosphateGuanosine 3',5'-cyclic monophosphate sodium saltGuanosine 3',5'-cyclic monophosphate sodium salt, >=99% (HPLC), powderGuanosine 3',5'-cyclic monophosphate sodium salt, >=99.0% (HPLC)Guanosine 3',5'-cyclophosphate monosodium saltGuanosine 3',5'-monophosphateGuanosine Cyclic 3',5'-(Hydrogen phosphate) Sodium SaltGuanosine Monophosphate Monosodium SaltGuanosine cyclic monophosphateGuanosine, cyclic 3',5'-(hydrogen phosphate), monosodium saltMFCD00038424MolPort-003-935-439Monosodium-GMPSODIUM 3',5'-CYCLIC GMP ANIONSodium guanosine cyclic monophosphateUNII-6WYT1TNR45cyclic-GMPguanosine 3',5'-cyclic phosphate
Cross References
Trusted external identifiers retained for this final record.
Cas
7665-99-8
Hit
C1225
Herb
HBIN020180HBIN022099HBIN038993
Npass
NPC250151NPC274384
Tcmid
25068
Tcmsp
MOL012951
Sym Map
SMIT13666SMIT18765
Tcm Id
152505323
Pub Chem
13539857024316
Tcmbank
TCMBANKIN058558
Etcm Ingredient
PCGcGMP
Itcmdb Generated
ITX-INGREDIENT-242C14510E45ITX-INGREDIENT-72059A0B1ABC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredientsOther ingredients,Metabolic ingredients
In Ch I
InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
Mol Wt
345.208
Smiles
C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O
Mol Log P
-1.5241
Version
v1,v2
In Ch Ikey
ZOOGRGPOEVQQDX-UUOKFMHZSA-N
Ob Score
3.7647921133.765
Suppress
0
Num Hdonors
4
Drug Likeness
0.444
Num Hacceptors
10
Isomeric Smiles
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)OC1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O1)O
Molecule Weight
345.24
Canonical Smiles
C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)OC1C2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O1)O
Herb Alias Names
cyclic gmp7665-99-83',5'-cyclic GMPCyclic guanosine monophosphateGuanosine cyclic monophosphateGuanosine 3',5'-cyclic monophosphateGuanosine 3',5'-monophosphateguanosine 3',5'-cyclic phosphatecyclic-GMP
Molecular Weight
345.050
Molecular Weight
345.21
Molecular Formula
C10H12N5O7P
Molecular Formula
C10H12N5O7P
Molecular Formula
C10H12N5O7P
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.4540.908
Quantitative Estimate Of Drug Likeness（Qed）
0.451