Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Target: 8Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26336
- Core Entity Id
- 32465
- Source Entity Count
- 1
- Preferred Name
- Methyl palmitelaidate
- Name En
- Pubchem Id
- 638303
- Smiles Canonical
- CCCCCCC=CCCCCCCCC(=O)OC
- Molecular Formula
- C17H32O2
- Molecular Weight
- 268.4410
- Inchikey
- IZFGRAGOVZCUFB-CMDGGOBGSA-N
- Inchi
- InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+
- Isomeric Smiles
- CCCCCC/C=C/CCCCCCCC(=O)OC
- Cas Id
- 10030-74-7
- Ob Score
- 34.6120
- Mol Logp
- 5.4167
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.2530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl Palmitelaidate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methyl palmitelaidate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methyl palmitelaidate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Methyl palmitelaidate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Methyl palmitelaidate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(E)-9-Hexadecenoic acid, methyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-hexadec-9-enoic acid methyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
10030-74-7
Role
alias
Source
HERB_v2
Preferred
No
Name
10030-74-7
Role
alias
Source
TCMBank
Preferred
No
Name
10030-74-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
76117_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
9-Hexadecenoic acid, (E), methyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
9-Hexadecenoic acid, methyl ester, (9E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
9-Hexadecenoic acid, methyl ester, (9E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl trans-9-hexadecenoate
Role
alias
Source
TCMBank
Preferred
No
Name
P0203_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
PALMITELAIDICACIDMETHYLESTER
Role
alias
Source
itcmdb_public
Preferred
No
Name
Palmitelaidic acid methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Palmitelaidic acid methyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
hexadec-9-enoic acid methyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
methyl (9E)-hexadec-9-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (9E)-hexadec-9-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl (E)-hexadec-9-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (E)-hexadec-9-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
methyl (E)-hexadec-9-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl 9-hexadecenoate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl 9-hexadecenoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl hexadec-9-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl hexadec-9-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
methyl hexadec-9-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl Palmitoleate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
METHYL PALMITOLEATE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Methyl palmitoleate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(Z)-Methyl hexadec-9-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-hexadec-9-enoic acid methyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
1120-25-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
76176_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
9-Hexadecenoic acid, methyl ester, (Z)-
Role
alias
Source
TCMBank
Preferred
No
Name
9-hexadecenoic acid, methyl ester, (9Z)-
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-36450
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 214-303-2
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl (Z)-hexadec-9-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl Z-9-hexadecenoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl cis-9-hexadecenoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl palmitoleinate
Role
alias
Source
HERB_v2
Preferred
No
Name
P9667_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Palmitoleic acid methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (9Z)-hexadec-9-enoate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-9-Hexadecenoic acid, methyl ester(E)-hexadec-9-enoic acid methyl ester10030-74-776117_FLUKA9-Hexadecenoic acid, (E), methyl ester9-Hexadecenoic acid, methyl ester, (9E)-Methyl trans-9-hexadecenoateP0203_SIGMAPALMITELAIDICACIDMETHYLESTERPalmitelaidic acid methyl esterhexadec-9-enoic acid methyl estermethyl (9E)-hexadec-9-enoatemethyl (E)-hexadec-9-enoatemethyl 9-hexadecenoatemethyl hexadec-9-enoateMethyl Palmitoleate(Z)-Methyl hexadec-9-enoate(Z)-hexadec-9-enoic acid methyl ester1120-25-876176_FLUKA9-Hexadecenoic acid, methyl ester, (Z)-9-hexadecenoic acid, methyl ester, (9Z)-AI3-36450EINECS 214-303-2InChI=1/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8Methyl (Z)-hexadec-9-enoateMethyl Z-9-hexadecenoateMethyl cis-9-hexadecenoateMethyl palmitoleinateP9667_SIGMAPalmitoleic acid methyl estermethyl (9Z)-hexadec-9-enoate
Cross References
Trusted external identifiers retained for this final record.
Cas
10030-74-71120-25-8
Herb
HBIN035354HBIN035356
Npass
NPC118974NPC207324
Tcmsp
MOL001818MOL003717
Sym Map
SMIT04172SMIT05747
Pub Chem
638303643801
Tcmbank
TCMBANKIN011390TCMBANKIN002148
Etcm Ingredient
Methyl palmitelaidate
Itcmdb Generated
ITX-INGREDIENT-303CEDB8E252
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+
Mol Wt
268.4409999999999
Cas Id
10030-74-7
Smiles
CCCCCCC=CCCCCCCCC(=O)OC
Mol Log P
5.416700000000005
Version
v1,v2
In Ch Ikey
IZFGRAGOVZCUFB-CMDGGOBGSA-N
Ob Score
34.61234.61226334.6122634
Suppress
0
Num Hdonors
0
Drug Likeness
0.253
Num Hacceptors
2
Isomeric Smiles
CCCCCC/C=C/CCCCCCCC(=O)OC
Molecule Weight
268.49
Canonical Smiles
CCCCCCC=CCCCCCCCC(=O)OC
Herb Alias Names
10030-74-7Palmitelaidic acid methyl estermethyl (E)-hexadec-9-enoate9-Hexadecenoic acid, methyl ester, (9E)-methyl hexadec-9-enoatePalmitelaidic acid-methyl esterPALMITELAIDICACIDMETHYLESTERmethyl (9E)-hexadec-9-enoatemethyl 9-hexadecenoate
Molecular Weight
268.240
Molecular Weight
268.43
Molecular Formula
C17H32O2
Molecular Formula
C17H32O2
Molecular Formula
C17H32O2
Num Rotatable Bonds
13
Fda Maximum Daily Dose (Fdamdd)
0.018
Quantitative Estimate Of Drug Likeness（Qed）
0.253