| Molecule Identification |
|---|
| Common Name | Cer(d17:1/LTE4) |
|---|
| Definition | 2697 |
|---|
| Structure | CCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)[C@@H](N)CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCC)[C@@H](O)CCCC(O)=O InChI=1S/C40H70N2O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-36(44)35(32-43)42-40(48)34(41)33-49-38(37(45)29-27-31-39(46)47)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,22,24-26,28,30,34-38,43-45H,3-11,13,15-17,19,21,23,27,29,31-33,41H2,1-2H3,(H,42,48)(H,46,47)/b14-12-,20-18-,24-22+,28-25+,30-26+/t34-,35-,36+,37-,38+/m0/s1 |
|---|
| Synonyms | | Value | Source |
|---|
| (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-{[(2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]-C-hydroxycarbonimidoyl}ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoate | Generator | | (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-{[(2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]-C-hydroxycarbonimidoyl}ethyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoate | Generator | | (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-{[(2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]-C-hydroxycarbonimidoyl}ethyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid | Generator |
|
|---|
| Chemical Formula | C40H70N2O6S |
|---|
| Average Molecular Weight | 707.07 |
|---|
| Monoisotopic Molecular Weight | 706.495459156 |
|---|
| IUPAC Name | (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-{[(2S,3R,4E)-1,3-dihydroxyheptadec-4-en-2-yl]carbamoyl}ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid |
|---|
| Traditional Name | (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-{[(2S,3R,4E)-1,3-dihydroxyheptadec-4-en-2-yl]carbamoyl}ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)[C@@H](N)CS[C@H](\C=C\C=C\C=C/C\C=C/CCCCC)[C@@H](O)CCCC(O)=O |
|---|
| InChI Identifier | InChI=1S/C40H70N2O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-36(44)35(32-43)42-40(48)34(41)33-49-38(37(45)29-27-31-39(46)47)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,22,24-26,28,30,34-38,43-45H,3-11,13,15-17,19,21,23,27,29,31-33,41H2,1-2H3,(H,42,48)(H,46,47)/b14-12-,20-18-,24-22+,28-25+,30-26+/t34-,35-,36+,37-,38+/m0/s1 |
|---|
| InChI Key | HCHPJRWDAXBWHL-DDCHMOMFSA-N |
|---|
