| Molecule Identification |
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| Common Name | Cer(d20:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) |
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| Definition | 2729 |
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| Structure | [H][C@@](CO)(NC(=O)CCC[C@@H](O)[C@H](O)\C=C/C=C\C=C\C=C\[C@@H](O)C\C=C/CC)[C@H](O)\C=C\CCCCCCCCCCCCCCC InChI=1S/C40H69NO6/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25-30-37(44)36(34-42)41-40(47)33-27-32-39(46)38(45)31-26-22-19-18-20-24-29-35(43)28-23-6-4-2/h6,18-20,22-26,29-31,35-39,42-46H,3-5,7-17,21,27-28,32-34H2,1-2H3,(H,41,47)/b20-18+,22-19-,23-6-,29-24+,30-25+,31-26-/t35-,36-,37+,38+,39+/m0/s1 |
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| Synonyms | | Value | Source |
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| (5R,6R,7Z,9Z,11E,13E,15S,17Z)-N-[(2S,3R)-1,3-Dihydroxyicos-4-en-2-yl]-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenimidate | Generator |
|
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| Chemical Formula | C40H69NO6 |
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| Average Molecular Weight | 659.993 |
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| Monoisotopic Molecular Weight | 659.512488946 |
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| IUPAC Name | (5R,6R,7Z,9Z,11E,13E,15S,17Z)-N-[(2S,3R,4E)-1,3-dihydroxyicos-4-en-2-yl]-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenamide |
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| Traditional Name | (5R,6R,7Z,9Z,11E,13E,15S,17Z)-N-[(2S,3R,4E)-1,3-dihydroxyicos-4-en-2-yl]-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenamide |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](CO)(NC(=O)CCC[C@@H](O)[C@H](O)\C=C/C=C\C=C\C=C\[C@@H](O)C\C=C/CC)[C@H](O)\C=C\CCCCCCCCCCCCCCC |
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| InChI Identifier | InChI=1S/C40H69NO6/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25-30-37(44)36(34-42)41-40(47)33-27-32-39(46)38(45)31-26-22-19-18-20-24-29-35(43)28-23-6-4-2/h6,18-20,22-26,29-31,35-39,42-46H,3-5,7-17,21,27-28,32-34H2,1-2H3,(H,41,47)/b20-18+,22-19-,23-6-,29-24+,30-25+,31-26-/t35-,36-,37+,38+,39+/m0/s1 |
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| InChI Key | VMVHJKHCTIYMSR-NHBDEIFYSA-N |
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