| Molecule Identification |
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| Common Name | Cer(t18:0/20:5(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@@H](O)CCCCCCCCCCCCCC InChI=1S/C38H67NO7/c1-3-5-7-8-9-10-11-12-13-14-19-23-28-36(44)38(46)33(31-40)39-37(45)30-24-29-35(43)34(42)27-22-18-16-15-17-21-26-32(41)25-20-6-4-2/h6,15-18,20-22,26-27,32-36,38,40-44,46H,3-5,7-14,19,23-25,28-31H2,1-2H3,(H,39,45)/b17-15+,18-16-,20-6-,26-21+,27-22-/t32-,33-,34+,35+,36-,38-/m0/s1 |
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| Synonyms | | Value | Source |
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| (5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-Trihydroxy-N-[(2S,3S,4S)-1,3,4-trihydroxyoctadecan-2-yl]icosa-7,9,11,13,17-pentaenimidate | Generator |
|
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| Chemical Formula | C38H67NO7 |
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| Average Molecular Weight | 649.954 |
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| Monoisotopic Molecular Weight | 649.491753501 |
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| IUPAC Name | (5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-N-[(2S,3S,4S)-1,3,4-trihydroxyoctadecan-2-yl]icosa-7,9,11,13,17-pentaenamide |
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| Traditional Name | (5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-N-[(2S,3S,4S)-1,3,4-trihydroxyoctadecan-2-yl]icosa-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@@H](O)CCCCCCCCCCCCCC |
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| InChI Identifier | InChI=1S/C38H67NO7/c1-3-5-7-8-9-10-11-12-13-14-19-23-28-36(44)38(46)33(31-40)39-37(45)30-24-29-35(43)34(42)27-22-18-16-15-17-21-26-32(41)25-20-6-4-2/h6,15-18,20-22,26-27,32-36,38,40-44,46H,3-5,7-14,19,23-25,28-31H2,1-2H3,(H,39,45)/b17-15+,18-16-,20-6-,26-21+,27-22-/t32-,33-,34+,35+,36-,38-/m0/s1 |
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| InChI Key | ONXBPUCMEJMJPE-MTQHXEKCSA-N |
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