Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 2Herb: 6Ingredient: 1Meta-analysis: 1Reference: 3Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15359
- Core Entity Id
- 20239
- Source Entity Count
- 1
- Preferred Name
- Creatine phosphoric acid
- Name En
- Pubchem Id
- 9548602
- Smiles Canonical
- CN(CC(=O)O)C(=NP(=O)(O)O)N
- Molecular Formula
- C4H10N3O5P
- Molecular Weight
- 211.1140
- Inchikey
- DRBBFCLWYRJSJZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
- Isomeric Smiles
- CN(CC(=O)O)/C(=N/P(=O)(O)O)/N
- Cas Id
- Ob Score
- Mol Logp
- -1.5898
- Num H Donors
- 4
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Creatine phosphoric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Creatine phosphoric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
creatine phosphoric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
67-07-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
67-07-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Creatine phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Creatine phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(Phosphonoamidino)sarcosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(Phosphonoamidino)sarcosine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Phosphorylcreatine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Phosphorylcreatine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-phosphocreatine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-phosphocreatine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phosphagen
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphagen
Role
alias
Source
itcmdb_public
Preferred
No
Name
creatine phosphoricacid
Role
alias
Source
TCMBank
Preferred
No
Name
creatine-P
Role
alias
Source
HERB_v2
Preferred
No
Name
creatine-P
Role
alias
Source
itcmdb_public
Preferred
No
Name
fosfocreatine
Role
alias
Source
HERB_v2
Preferred
No
Name
fosfocreatine
Role
alias
Source
itcmdb_public
Preferred
No
Name
phosphocreatine
Role
alias
Source
HERB_v2
Preferred
No
Name
phosphocreatine
Role
alias
Source
itcmdb_public
Preferred
No
Name
phosphorylcreatine
Role
alias
Source
HERB_v2
Preferred
No
Name
phosphorylcreatine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
67-07-2Creatine phosphateN-(Phosphonoamidino)sarcosineN-PhosphorylcreatineN-phosphocreatinePhosphagencreatine phosphoricacidcreatine-Pfosfocreatinephosphocreatinephosphorylcreatine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021664
Tcmid
308274222
Pub Chem
9548602
Tcmbank
TCMBANKIN006478
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
Mol Wt
211.114
Smiles
CN(CC(=O)O)C(=NP(=O)(O)O)N
Mol Log P
-1.589799999999999
In Ch Ikey
DRBBFCLWYRJSJZ-UHFFFAOYSA-N
Num Hdonors
4
Drug Likeness
0.251
Num Hacceptors
2
Isomeric Smiles
CN(CC(=O)O)/C(=N/P(=O)(O)O)/N
Canonical Smiles
CN(CC(=O)O)C(=NP(=O)(O)O)N
Herb Alias Names
phosphocreatineCreatine phosphatephosphorylcreatineN-phosphocreatinefosfocreatinecreatine-P67-07-2PhosphagenN-(Phosphonoamidino)sarcosineN-Phosphorylcreatine
Molecular Weight
211.11 g/mol
Molecular Formula
C4H10N3O5P
Molecular Formula
C4H10N3O5P
Num Rotatable Bonds
3