Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63605
- Core Entity Id
- 110623
- Source Entity Count
- 1
- Preferred Name
- Dtdp
- Name En
- Pubchem Id
- 164628
- Smiles Canonical
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)O
- Molecular Formula
- C10H16N2O11P2
- Molecular Weight
- 402.1900
- Inchikey
- UJLXYODCHAELLY-XLPZGREQSA-N
- Inchi
- InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -3.9000
- Num H Donors
- 5
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 192.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dtdp
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Dtdp
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT23695
Itcmdb Generated
ITX-INGREDIENT-530DBA693833
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0