| Properties | Image |
|---|
| MNX_ID | MNXM956263 |
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| reference | slm:000648648 |
| formula | C48H87NO9P |
| global charge | -1 |
| mol weight | 853.196 |
| InChIKey | HCMXWODCQQAQIN-VIPRMGRSSA-M |
| InChI | InChI=1S/C48H88NO9P/c1-4-7-10-13-16-18-20-22-23-24-26-27-30-33-36-39-47(51)55-43-45(58-48(52)40-37-34-31-28-25-21-19-17-14-11-8-5-2)44-57-59(53,54)56-42-41-49-46(50)38-35-32-29-15-12-9-6-3/h16,18,22-23,26-27,45H,4-15,17,19-21,24-25,28-44H2,1-3H3,(H,49,50)(H,53,54)/p-1/b18-16-,23-22-,27-26-/t45-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H88NO9P/c1-4-7-10-13-16-18-20-22-23-24-26-27-30-33-36-39-47(51)55-43-45(58-48(52)40-37-34-31-28-25-21-19-17-14-11-8-5-2)44-57-59(53,54)56-42-41-49-46(50)38-35-32-29-15-12-9-6-3/h16,18,22-23,26-27,45H,4-15,17,19-21,24-25,28-44H2,1-3H3,(H,49,50)(H,53,54)/b18-16-,23-22-,27-26-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:23]\[CH2:24]/[CH:26]=[CH:27]\[CH2:30][CH2:33][CH2:36][CH2:39][C:47](=[O:51])[O:55][CH2:43][C@H:45]([CH2:44][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:42][CH2:41][N:49]=[C:46]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:50])[O:58][C:48]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:25][CH2:21][CH2:19][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:52] |
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