Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 12Links: 21
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14919
- Core Entity Id
- 19746
- Source Entity Count
- 1
- Preferred Name
- Cmp
- Name En
- Pubchem Id
- 18530344
- Smiles Canonical
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O.O
- Molecular Formula
- C9H14N3O8P
- Molecular Weight
- 323.1980
- Inchikey
- IERHLVCPSMICTF-XVFCMESISA-N
- Inchi
- InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
- Isomeric Smiles
- C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
- Cas Id
- 11002-78-1
- Ob Score
- 19.4697
- Mol Logp
- -2.4460
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cmp
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cmp
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cmp
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5'-CMP
Role
alias
Source
itcmdb_public
Preferred
No
Name
5'-CMP
Role
alias
Source
HERB_v2
Preferred
No
Name
5'-CYTIDYLIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
5'-CYTIDYLIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
63-37-6
Role
alias
Source
HERB_v2
Preferred
No
Name
63-37-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
CMP (nucleotide)
Role
alias
Source
itcmdb_public
Preferred
No
Name
CMP (nucleotide)
Role
alias
Source
HERB_v2
Preferred
No
Name
Cytidine 5'-monophosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Cytidine 5'-phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Cytidine 5'-phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cytidine monophosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Cytidine monophosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cytidine-5'-monophosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
cytidylate
Role
alias
Source
HERB_v2
Preferred
No
Name
cytidylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
cytidylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
cytidylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5'-CMP5'-CYTIDYLIC ACID63-37-6CMP (nucleotide)Cytidine 5'-monophosphateCytidine 5'-phosphateCytidine monophosphateCytidine-5'-monophosphatecytidylatecytidylic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
11002-78-1
Hit
C1269
Herb
HBIN021159
Npass
NPC212551
Tcmsp
MOL012950
Sym Map
SMIT13665
Pub Chem
1853034423713921314441346476131705816594332
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Mol Wt
323.198
Cas Id
11002-78-1
Mol Log P
-2.446
Version
v1,v2
In Ch Ikey
IERHLVCPSMICTF-XVFCMESISA-N
Ob Score
19.4697331919.47
Suppress
0
Num Hdonors
5
Drug Likeness
0.374
Num Hacceptors
9
Isomeric Smiles
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
Molecule Weight
329.24
Canonical Smiles
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
Herb Alias Names
5'-CYTIDYLIC ACID63-37-6Cytidine 5'-monophosphatecytidylic acidCytidine monophosphateCytidine-5'-monophosphate5'-CMPcytidylateCytidine 5'-phosphateCMP (nucleotide)
Molecular Formula
C9H14N3O8P
Num Rotatable Bonds
4