Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63929
- Core Entity Id
- 110947
- Source Entity Count
- 1
- Preferred Name
- Heparin Sodium
- Name En
- Pubchem Id
- 92044406
- Smiles Canonical
- CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O.[Na+]
- Molecular Formula
- C26H42N2NaO37S5+
- Molecular Weight
- 1157.9000
- Inchikey
- JRTRSJGZMRQDHI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H42N2O37S5.Na/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36;/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);/q;+1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -13.7079
- Num H Donors
- 15
- Num H Acceptors
- 38
- Num Rotatable Bonds
- 21
- Drug Likeness
- Polar Surface Area
- 652.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Heparin Sodium
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Heparin Sodium
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24386
Itcmdb Generated
ITX-INGREDIENT-1AC3C1B17124
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0