Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29865
- Core Entity Id
- 36379
- Source Entity Count
- 1
- Preferred Name
- Phytosphingosine
- Name En
- Pubchem Id
- 122121
- Smiles Canonical
- CCCCCCCCCCCCCCC(C(C(CO)N)O)O
- Molecular Formula
- C18H39NO3
- Molecular Weight
- 317.5140
- Inchikey
- AERBNCYCJBRYDG-KSZLIROESA-N
- Inchi
- InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1
- Isomeric Smiles
- CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1190
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.3290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phytosphingosine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2s,3 s,4r)-2-(sixteen carbon amido)-octadecane-1,3,4-triol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s,3 s,4r)-2-(sixteen carbon amido)-octadecane-1,3,4-triol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phytosphingosine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phytosphingosine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Phytosphingosine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Phytosphingosine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Phytosphingosine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
红缘层孔菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG YUAN CENG KONG JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Red Belt Polypore
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-D-ribo-Phytosphingosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3S,4R)-2-aminooctadecane-1,3,4-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3S,4R)-2-aminooctadecane-1,3,4-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,4-Octadecanetriol, 2-amino-, (2S,3S,4R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,4-Octadecanetriol, 2-amino-, (2S,3S,4R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4-D-Hydroxysphinganine
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-D-Hydroxysphinganine
Role
alias
Source
HERB_v2
Preferred
No
Name
554-62-1
Role
alias
Source
HERB_v2
Preferred
No
Name
554-62-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
C18-Phytosphingosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
C18-Phytosphingosine
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Ribo-phytosphingosine
Role
alias
Source
HERB_v2
Preferred
No
Name
DS-phytosphingosine
Role
alias
Source
HERB_v2
Preferred
No
Name
DS-phytosphingosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-GIN46U9Q2Q
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-GIN46U9Q2Q
Role
alias
Source
HERB_v2
Preferred
No
Name
phytosphingosine
Role
alias
Source
HERB_v2
Preferred
No
Name
phytosphingosine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2s,3 s,4r)-2-(sixteen carbon amido)-octadecane-1,3,4-triol红缘层孔菌HONG YUAN CENG KONG JUNRed Belt Polypore(+)-D-ribo-Phytosphingosine(2S,3S,4R)-2-aminooctadecane-1,3,4-triol1,3,4-Octadecanetriol, 2-amino-, (2S,3S,4R)-4-D-Hydroxysphinganine554-62-1C18-PhytosphingosineD-Ribo-phytosphingosineDS-phytosphingosineUNII-GIN46U9Q2Q
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006707HBIN039807
Npass
NPC8979
Tcmid
1725942986
Sym Map
SMIT26129
Pub Chem
122121
Tcmbank
TCMBANKIN034595TCMBANKIN061049
Etcm Ingredient
Phytosphingosine
Itcmdb Generated
ITX-INGREDIENT-44C31ADA3F7CITX-INGREDIENT-57A24C8AF5D1ITX-INGREDIENT-B6C623B6F486
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
In Ch I
InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1
Mol Wt
317.514
Smiles
CCCCCCCCCCCCCCC(C(C(CO)N)O)O
Mol Log P
3.119000000000001
Version
v2
In Ch Ikey
AERBNCYCJBRYDG-KSZLIROESA-N
Suppress
0
Tcm Name
红缘层孔菌
Tcm Name2
HONG YUAN CENG KONG JUN
Mol2 Path
/TCM_database/2007_3d_all/17273.mol2
Reference
660, 1521
Num Hdonors
4
Tcm Name En
Red Belt Polypore
Drug Likeness
0.329
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O
Canonical Smiles
CCCCCCCCCCCCCCC(C(C(CO)N)O)O
Herb Alias Names
phytosphingosine554-62-1(2S,3S,4R)-2-aminooctadecane-1,3,4-triol4-D-HydroxysphinganineD-Ribo-phytosphingosineC18-PhytosphingosineDS-phytosphingosine(+)-D-ribo-PhytosphingosineUNII-GIN46U9Q2Q1,3,4-Octadecanetriol, 2-amino-, (2S,3S,4R)-
Molecular Weight
317.290
Molecular Weight
317.5 g/mol
Molecular Formula
C18H39NO3
Molecular Formula
C18H39NO3
Molecular Formula
C18H39NO3
Num Rotatable Bonds
16
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.329