IngredientID 62507

1-Methyladenosine

C11H15N5O4

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Relationship Network

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Herb: 1Ingredient: 1Target: 1Links: 2
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
62507
Core Entity Id
109525
Source Entity Count
1
Preferred Name
1-Methyladenosine
Name En
Pubchem Id
27476
Smiles Canonical
CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O
Molecular Formula
C11H15N5O4
Molecular Weight
281.2700
Inchikey
GFYLSDSUCHVORB-IOSLPCCCSA-N
Inchi
InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
-1.0000
Num H Donors
4
Num H Acceptors
7
Num Rotatable Bonds
2
Drug Likeness
Polar Surface Area
127.0000
Molecular Volume
Alogp

Names

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

Name
1-Methyladenosine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-Methyladenosine
Role
preferred
Source
SymMap_v2
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Sym Map
SMIT20257
Itcmdb Generated
ITX-INGREDIENT-89F42C9F5192

Attributes

Merged source attributes and domain-specific metadata.

Type
Metabolic ingredients
Version
v2
Suppress
0