Pinolenic acid
PubChem CID: 5312495
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| Compound Synonyms | Pinolenic acid, 16833-54-8, (5Z,9Z,12Z)-octadeca-5,9,12-trienoic acid, 5Z,9Z,12Z-octadecatrienoic acid, Pinolenic acid [MI], cis,cis,cis-5,9,12-Octadecatrienoic acid, B810C93MD7, 5,9,12-Octadecatrienoic acid, (5Z,9Z,12Z)-, C18:3n-6,9,13, UNII-B810C93MD7, all-cis-octadeca-5,9,12-trienoic acid, (z,z,z)-5,9,12-octadecatrienoic acid, SCHEMBL1021463, CHEBI:86136, DTXSID00895852, HXQHFNIKBKZGRP-URPRIDOGSA-N, HMS3650G16, LMFA01030344, (5Z,9Z,12Z)-octadecatrienoic acid, AKOS040754743, 1ST164627, 5,9,12-OCTADECATRIENOIC ACID, CIS, HY-119546, CS-0068703, SR-01000946285, SR-01000946285-1, Q63408763 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z,9Z,12Z)-octadeca-5,9,12-trienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C18H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HXQHFNIKBKZGRP-URPRIDOGSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -3.06 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.162 |
| Compound Name | Pinolenic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 278.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.702503199999999 |
| Inchi | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,14-13- |
| Smiles | CCCCC/C=C\C/C=C\CC/C=C\CCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinus Koraiensis (Plant) Rel Props:Source_db:cmaup_ingredients