Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 9Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37277
- Core Entity Id
- 44640
- Source Entity Count
- 1
- Preferred Name
- (z)-nonadec-6-enoic acid
- Name En
- Pubchem Id
- 23426912
- Smiles Canonical
- CCCCCCCCCCCCC=CCCCCC(=O)O
- Molecular Formula
- C19H36O2
- Molecular Weight
- 296.4950
- Inchikey
- CACIOTGFGVZSRC-YPKPFQOOSA-N
- Inchi
- InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h13-14H,2-12,15-18H2,1H3,(H,20,21)/b14-13-
- Isomeric Smiles
- CCCCCCCCCCCC/C=C\CCCCC(=O)O
- Cas Id
- Ob Score
- 31.8820
- Mol Logp
- 6.4986
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.2610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(Z)-Nonadec-6-Enoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(Z)-Nonadec-6-Enoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(Z)-nonadec-6-enoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(Z)-nonadec-6-enoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(z)-nonadec-6-enoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(z)-nonadec-6-enoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(Z)-6-Nonadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-6-Nonadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
19:1(6Z)
Role
alias
Source
HERB_v2
Preferred
No
Name
19:1(6Z)
Role
alias
Source
itcmdb_public
Preferred
No
Name
6Z-nonadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
6Z-nonadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
C19:1n-13
Role
alias
Source
HERB_v2
Preferred
No
Name
C19:1n-13
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:196575
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:196575
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01030885
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA01030885
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1301446
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1301446
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Z)-6-Nonadecenoic acid19:1(6Z)6Z-nonadecenoic acidC19:1n-13CHEBI:196575LMFA01030885SCHEMBL1301446
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN049042
Tcmsp
MOL009765
Sym Map
SMIT10849
Pub Chem
23426912
Tcmbank
TCMBANKIN001945
Etcm Ingredient
(Z)-nonadec-6-enoic acid
Itcmdb Generated
ITX-INGREDIENT-60B03A3E0DF4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h13-14H,2-12,15-18H2,1H3,(H,20,21)/b14-13-
Mol Wt
296.4949999999999
Mol Log P
6.498600000000007
Version
v1,v2
In Ch Ikey
CACIOTGFGVZSRC-YPKPFQOOSA-N
Ob Score
31.88231.88232631.88232613
Suppress
0
Num Hdonors
1
Drug Likeness
0.261
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCC/C=C\CCCCC(=O)O
Molecule Weight
296.55
Canonical Smiles
CCCCCCCCCCCCC=CCCCCC(=O)O
Herb Alias Names
6Z-nonadecenoic acid19:1(6Z)C19:1n-13(Z)-6-Nonadecenoic acidSCHEMBL1301446CHEBI:196575LMFA01030885
Molecular Weight
296.270
Molecular Weight
296.55
Molecular Formula
C19H36O2
Molecular Formula
C19H36O2
Num Rotatable Bonds
16
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.261