N-hexadecanoylsphinga-(4E,8E)-dienine
PubChem CID: 14331917
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL37460, CHEBI:157623, DTXSID501131952, BDBM50289521, N-hexadecanoylsphinga-(4E,8E)-dienine, 141980-53-2, (4E,8E)-N-hexadecanoylsphinga-4,8-dienine, (2s,3r,4e,8e)-2-hexadecanoylamino-4,8-octadecadien-1,3-diol, (2S,3S,4E,8E)-N-hexadecanoyl-2-amino-1,3-octadeca-4,8-dienediol, Hexadecanoic acid ((3E,7E)-(1S,2R)-2-hydroxy-1-hydroxymethyl-heptadeca-3,7-dienyl)-amide, N-[(1S,2R,3E,7E)-2-Hydroxy-1-(hydroxymethyl)-3,7-heptadecadien-1-yl]hexadecanamide |
|---|---|
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P11597 |
| Iupac Name | N-[(2S,3R,4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide |
| Prediction Hob | 0.0 |
| Target Id | NPT910 |
| Xlogp | 11.9 |
| Molecular Formula | C34H65NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GMWIWVUTMCBDSP-ILAZMTIGSA-N |
| Fcsp3 | 0.8529411764705882 |
| Logs | -3.16 |
| Rotatable Bond Count | 29.0 |
| Logd | 5.262 |
| Compound Name | N-hexadecanoylsphinga-(4E,8E)-dienine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 535.496 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 535.496 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 535.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -8.972367600000004 |
| Inchi | InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,32-33,36-37H,3-18,20,22-26,28,30-31H2,1-2H3,(H,35,38)/b21-19+,29-27+/t32-,33+/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CC/C=C/CCCCCCCCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calendula Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hoppea Dichotoma (Plant) Rel Props:Source_db:npass_chem_all