| Properties | Image |
|---|
| MNX_ID | MNXM1026016 |
 |
| reference | slm:000718405 |
| formula | C48H87NO8P |
| global charge | -1 |
| mol weight | 837.197 |
| InChIKey | NBSSUUMTCNUHOP-PSPYGEGBSA-M |
| InChI | InChI=1S/C48H88NO8P/c1-5-7-9-11-13-15-16-17-18-19-20-22-27-31-35-39-48(51)57-46(43-54-41-36-32-28-24-23-25-29-33-37-45(3)4)44-56-58(52,53)55-42-40-49-47(50)38-34-30-26-21-14-12-10-8-6-2/h7,9,13,15,17-18,20,22,45-46H,5-6,8,10-12,14,16,19,21,23-44H2,1-4H3,(H,49,50)(H,52,53)/p-1/b9-7-,15-13-,18-17-,22-20-/t46-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCC(C)C)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H88NO8P/c1-5-7-9-11-13-15-16-17-18-19-20-22-27-31-35-39-48(51)57-46(43-54-41-36-32-28-24-23-25-29-33-37-45(3)4)44-56-58(52,53)55-42-40-49-47(50)38-34-30-26-21-14-12-10-8-6-2/h7,9,13,15,17-18,20,22,45-46H,5-6,8,10-12,14,16,19,21,23-44H2,1-4H3,(H,49,50)(H,52,53)/b9-7-,15-13-,18-17-,22-20-/t46-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:22]\[CH2:27][CH2:31][CH2:35][CH2:39][C:48](=[O:51])[O:57][C@H:46]([CH2:43][O:54][CH2:41][CH2:36][CH2:32][CH2:28][CH2:24][CH2:23][CH2:25][CH2:29][CH2:33][CH2:37][CH:45]([CH3:3])[CH3:4])[CH2:44][O:56][P:58]([OH:52])(=[O:53])[O:55][CH2:42][CH2:40][N:49]=[C:47]([CH2:38][CH2:34][CH2:30][CH2:26][CH2:21][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:50] |
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