Hypogeic Acid
PubChem CID: 6365142
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (E)-hexadec-7-enoic acid, hypogeic acid, 7E-hexadecenoic acid, C16:1n-9, Hexadec-7-enoic acid, DTXSID301009353, Hypogeate, SCHEMBL410915, SCHEMBL634682, DTXCID501436180, LMFA01030808, DB-215139 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Description | Hypogeic acid is a fatty acids found in human milk Approximately 50% of the dietary calories in human milk are supplied to new-borns as fat. More than 98% of this milk fat is in the form of triglycerides, which contain fatty acid glycerol esters. Fatty acid composition in human milk changes in colostrum, transitional milk and mature milk. Knowledge of fatty acid composition of human milk is of importance for the manufacture of infant formulas, determination of the influence of diet in fatty acid composition of human milk and changes in composition with lactation. (CAN 136:246580, AN 2002:67899) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hexadec-7-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 6.4 |
| Molecular Formula | C16H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PJHOFUXBXJNUAC-MDZDMXLPSA-N |
| Fcsp3 | 0.8125 |
| Logs | -4.393 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.493 |
| Synonyms | (Z)-7-Hexadecenoic acid |
| Compound Name | Hypogeic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 254.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.692166799999999 |
| Inchi | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)/b10-9+ |
| Smiles | CCCCCCCC/C=C/CCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Stephania Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all