| Properties | Image |
MNX_ID | MNXM356043 |
 |
reference | slm:000019432 |
formula | C59H114O13P |
global charge | -1 |
mol weight | 1062.522 |
InChIKey | JORXPWKJDUMUAC-LSEGEPDZSA-M |
InChI | InChI=1S/C59H115O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-53(61)71-51(50-70-73(67,68)72-59-57(65)55(63)54(62)56(64)58(59)66)49-69-52(60)47-45-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2/h51,54-59,62-66H,3-50H2,1-2H3,(H,67,68)/p-1/t51-,54-,55-,56+,57-,58-,59-/m1/s1 |
SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
InChI (mnx) | InChI=1/C59H115O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-53(61)71-51(50-70-73(67,68)72-59-57(65)55(63)54(62)56(64)58(59)66)49-69-52(60)47-45-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2/h51,54-59,62-66H,3-50H2,1-2H3,(H,67,68)/t51-,54-,55-,56+,57-,58-,59-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:61])[O:71][C@H:51]([CH2:49][O:69][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:60])[CH2:50][O:70][P:73]([OH:67])(=[O:68])[O:72][C@@H:59]1[C@H:57]([OH:65])[C@H:55]([OH:63])[C@@H:54]([OH:62])[C@H:56]([OH:64])[C@H:58]1[OH:66] |
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