| Molecule Identification |
|---|
| Common Name | Cer(d20:1/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) |
|---|
| Definition | 2733 |
|---|
| Structure | [H][C@@](CO)(NC(=O)CC\C=C/C\C=C/C[C@@H](O)\C=C\C=C/C=C/[C@@H](O)C\C=C/CC)[C@H](O)\C=C\CCCCCCCCCCCCCCC InChI=1S/C42H71NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-29-35-41(47)40(37-44)43-42(48)36-30-22-19-18-20-26-32-39(46)34-28-24-23-27-33-38(45)31-25-6-4-2/h6,19-20,22-29,33-35,38-41,44-47H,3-5,7-18,21,30-32,36-37H2,1-2H3,(H,43,48)/b22-19-,24-23-,25-6-,26-20-,33-27+,34-28+,35-29+/t38-,39+,40-,41+/m0/s1 |
|---|
| Synonyms | | Value | Source |
|---|
| (4Z,7Z,10R,11E,13Z,17S,19Z)-N-[(2S,3R)-1,3-Dihydroxyicos-4-en-2-yl]-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenimidate | Generator |
|
|---|
| Chemical Formula | C42H71NO5 |
|---|
| Average Molecular Weight | 670.032 |
|---|
| Monoisotopic Molecular Weight | 669.53322439 |
|---|
| IUPAC Name | (4Z,7Z,10R,11E,13Z,15E,17S,19Z)-N-[(2S,3R,4E)-1,3-dihydroxyicos-4-en-2-yl]-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenamide |
|---|
| Traditional Name | (4Z,7Z,10R,11E,13Z,15E,17S,19Z)-N-[(2S,3R,4E)-1,3-dihydroxyicos-4-en-2-yl]-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenamide |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@@](CO)(NC(=O)CC\C=C/C\C=C/C[C@@H](O)\C=C\C=C/C=C/[C@@H](O)C\C=C/CC)[C@H](O)\C=C\CCCCCCCCCCCCCCC |
|---|
| InChI Identifier | InChI=1S/C42H71NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-29-35-41(47)40(37-44)43-42(48)36-30-22-19-18-20-26-32-39(46)34-28-24-23-27-33-38(45)31-25-6-4-2/h6,19-20,22-29,33-35,38-41,44-47H,3-5,7-18,21,30-32,36-37H2,1-2H3,(H,43,48)/b22-19-,24-23-,25-6-,26-20-,33-27+,34-28+,35-29+/t38-,39+,40-,41+/m0/s1 |
|---|
| InChI Key | VXQDTGKXIGDHQW-RHLHGTJZSA-N |
|---|
