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
- 24090
- Core Entity Id
- 29961
- Source Entity Count
- 1
- Preferred Name
- Sialic acid
- Name En
- Pubchem Id
- 139256539
- Smiles Canonical
- CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
- Molecular Formula
- C11H19NO9
- Molecular Weight
- 309.2710
- Inchikey
- SQVRNKJHWKZAKO-PFQGKNLYSA-N
- Inchi
- InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)
- Isomeric Smiles
- CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
- Cas Id
- 489-46-3
- Ob Score
- 17.6409
- Mol Logp
- -3.8718
- Num H Donors
- 7
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sialic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Lactamic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lactamic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sialic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sialic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sialic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
sialic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S,4S,5R,6R)-5-Acetamido-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,4S,5R,6R)-5-Acetamido-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
131-48-6
Role
alias
Source
HERB_v2
Preferred
No
Name
131-48-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
3h-sialic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3h-sialic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
489-46-3
Role
alias
Source
HERB_v2
Preferred
No
Name
489-46-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-N-ACETYL-BETA-D-NEURAMINIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-N-ACETYL-BETA-D-NEURAMINIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetylneuraminic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetylneuraminic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
BETA-SIALIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
BETA-SIALIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
Lactaminic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Lactaminic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Acetyl-D-neuraminic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Acetyl-D-neuraminic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
N-acetyl-beta-neuraminic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-acetyl-beta-neuraminic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
N-acetylneuramic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
N-acetylneuramic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
NANA
Role
alias
Source
HERB_v2
Preferred
No
Name
NANA
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC111756
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC111756
Role
alias
Source
itcmdb_public
Preferred
No
Name
Neuraminic acid, N-acetyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Neuraminic acid, N-acetyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
O-sialic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
O-sialic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Sia
Role
alias
Source
HERB_v2
Preferred
No
Name
Sia
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Neu5Ac
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Neu5Ac
Role
alias
Source
HERB_v2
Preferred
No
Name
lactamic acid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Lactamic acid(2S,4S,5R,6R)-5-Acetamido-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid131-48-63h-sialic acid489-46-35-N-ACETYL-BETA-D-NEURAMINIC ACIDAcetylneuraminic acidBETA-SIALIC ACIDLactaminic acidN-Acetyl-D-neuraminic acidN-acetyl-beta-neuraminic acidN-acetylneuramic acidNANANSC111756Neuraminic acid, N-acetyl-O-sialic acidSiabeta-Neu5Ac
Cross References
Trusted external identifiers retained for this final record.
Cas
489-46-3
Herb
HBIN032523HBIN043949
Npass
NPC292345
Tcmid
3470534706
Tcmsp
MOL009737
Sym Map
SMIT10824
Pub Chem
139256539163606444885445063656387906
Tcmbank
TCMBANKIN058966
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1
Mol Wt
309.271
Smiles
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
Mol Log P
-3.871799999999998
Version
v1,v2
In Ch Ikey
SQVRNKJHWKZAKO-PFQGKNLYSA-NSQVRNKJHWKZAKO-UHFFFAOYSA-N
Ob Score
17.6408717.6408700217.641
Suppress
0
Num Hdonors
7
Drug Likeness
0.268
Num Hacceptors
8
Isomeric Smiles
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)OCC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
Molecule Weight
309.31
Canonical Smiles
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
Herb Alias Names
131-48-6N-acetyl-beta-neuraminic acidN-acetylneuramic acidN-Acetyl-D-neuraminic acidNANALactaminic acid5-N-ACETYL-BETA-D-NEURAMINIC ACIDbeta-Neu5AcBETA-SIALIC ACID(2S,4S,5R,6R)-5-Acetamido-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
Molecular Weight
309.27
Molecular Formula
C11H19NO9
Molecular Formula
C11H19NO9
Num Rotatable Bonds
5