Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 10Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62907
- Core Entity Id
- 109925
- Source Entity Count
- 1
- Preferred Name
- 5'-Methylthioadenosine
- Name En
- Pubchem Id
- 439176
- Smiles Canonical
- CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
- Molecular Formula
- C11H15N5O3S
- Molecular Weight
- 297.3400
- Inchikey
- WUUGFSXJNOTRMR-IOSLPCCCSA-N
- Inchi
- InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.3000
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 145.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5'-Methylthioadenosine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5'-Methylthioadenosine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21596
Itcmdb Generated
ITX-INGREDIENT-0A1AFC677B8B
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0