Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 12Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63903
- Core Entity Id
- 110921
- Source Entity Count
- 1
- Preferred Name
- Glycocholate
- Name En
- Pubchem Id
- 10140
- Smiles Canonical
- CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
- Molecular Formula
- C26H43NO6
- Molecular Weight
- 465.6000
- Inchikey
- RFDAIACWWDREDC-FRVQLJSFSA-N
- Inchi
- InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.9000
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 127.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glycocholate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24282
Itcmdb Generated
ITX-INGREDIENT-FA4FF46B844C
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0