| Properties | Image |
|---|
| MNX_ID | MNXM1030531 |
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| reference | slm:000722920 |
| formula | C48H89NO8P |
| global charge | -1 |
| mol weight | 839.213 |
| InChIKey | VGCPCDUQKLJKDI-JDJHHQJVSA-M |
| InChI | InChI=1S/C48H90NO8P/c1-5-7-9-11-12-13-14-15-16-17-21-24-27-31-34-38-47(50)49-40-42-55-58(52,53)56-44-46(57-48(51)39-35-29-10-8-6-2)43-54-41-36-32-28-25-22-19-18-20-23-26-30-33-37-45(3)4/h12-13,15-16,21,24,45-46H,5-11,14,17-20,22-23,25-44H2,1-4H3,(H,49,50)(H,52,53)/p-1/b13-12-,16-15-,24-21-/t46-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H90NO8P/c1-5-7-9-11-12-13-14-15-16-17-21-24-27-31-34-38-47(50)49-40-42-55-58(52,53)56-44-46(57-48(51)39-35-29-10-8-6-2)43-54-41-36-32-28-25-22-19-18-20-23-26-30-33-37-45(3)4/h12-13,15-16,21,24,45-46H,5-11,14,17-20,22-23,25-44H2,1-4H3,(H,49,50)(H,52,53)/b13-12-,16-15-,24-21-/t46-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:21]=[CH:24]\[CH2:27][CH2:31][CH2:34][CH2:38][C:47](=[N:49][CH2:40][CH2:42][O:55][P:58]([OH:52])(=[O:53])[O:56][CH2:44][C@@H:46]([CH2:43][O:54][CH2:41][CH2:36][CH2:32][CH2:28][CH2:25][CH2:22][CH2:19][CH2:18][CH2:20][CH2:23][CH2:26][CH2:30][CH2:33][CH2:37][CH:45]([CH3:3])[CH3:4])[O:57][C:48]([CH2:39][CH2:35][CH2:29][CH2:10][CH2:8][CH2:6][CH3:2])=[O:51])[OH:50] |
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