| Molecule Identification |
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| Common Name | Cer(d16:1/LTE4) |
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| Definition | 2697 |
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| Structure | CCCCCCCCCCC\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/C39H68N2O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37(36(44)28-26-30-38(45)46)48-32-33(40)39(47)41-34(31-42)35(43)27-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23-25,27,29,33-37,42-44H,3-10,12,14-16,18,20,22,26,28,30-32,40H2,1-2H3,(H,41,47)(H,45,46)/b13-11-,19-17-,23-21+,27-24+,29-25+/t33-,34-,35+,36-,37+/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-dihydroxyhexadec-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-dihydroxyhexadec-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-dihydroxyhexadec-4-en-2-yl]-C-hydroxycarbonimidoyl}ethyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid | Generator |
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| Chemical Formula | C39H68N2O6S |
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| Average Molecular Weight | 693.04 |
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| Monoisotopic Molecular Weight | 692.479809092 |
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| IUPAC Name | (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-{[(2S,3R,4E)-1,3-dihydroxyhexadec-4-en-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,4E)-1,3-dihydroxyhexadec-4-en-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 | CCCCCCCCCCC\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 |
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| InChI Identifier | InChI=1S/C39H68N2O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37(36(44)28-26-30-38(45)46)48-32-33(40)39(47)41-34(31-42)35(43)27-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23-25,27,29,33-37,42-44H,3-10,12,14-16,18,20,22,26,28,30-32,40H2,1-2H3,(H,41,47)(H,45,46)/b13-11-,19-17-,23-21+,27-24+,29-25+/t33-,34-,35+,36-,37+/m0/s1 |
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| InChI Key | JXMBPIDBPZZZTI-ZBMWSVBFSA-N |
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