| Molecule Identification |
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| Common Name | Cer(d18:0/LTE4) |
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| Definition | 2698 |
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| Structure | CCCCCCCCCCCCCCC[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/C41H74N2O6S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-29-37(45)36(33-44)43-41(49)35(42)34-50-39(38(46)30-28-32-40(47)48)31-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,19,21,23,25,27,31,35-39,44-46H,3-11,13,15-18,20,22,24,26,28-30,32-34,42H2,1-2H3,(H,43,49)(H,47,48)/b14-12-,21-19-,25-23+,31-27+/t35-,36-,37+,38-,39+/m0/s1 |
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| Synonyms | | Value | Source |
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| (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-{[(2S,3R)-1,3-dihydroxyoctadecan-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-dihydroxyoctadecan-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-dihydroxyoctadecan-2-yl]-C-hydroxycarbonimidoyl}ethyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid | Generator |
|
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| Chemical Formula | C41H74N2O6S |
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| Average Molecular Weight | 723.11 |
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| Monoisotopic Molecular Weight | 722.526759285 |
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| IUPAC Name | (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-{[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]carbamoyl}ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid |
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| Traditional Name | (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-{[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]carbamoyl}ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCCCCCCC[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 |
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| InChI Identifier | InChI=1S/C41H74N2O6S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-29-37(45)36(33-44)43-41(49)35(42)34-50-39(38(46)30-28-32-40(47)48)31-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,19,21,23,25,27,31,35-39,44-46H,3-11,13,15-18,20,22,24,26,28-30,32-34,42H2,1-2H3,(H,43,49)(H,47,48)/b14-12-,21-19-,25-23+,31-27+/t35-,36-,37+,38-,39+/m0/s1 |
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| InChI Key | GHVVWOAGNIGXCF-VGFUOPJTSA-N |
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