| Properties | Image |
|---|
| MNX_ID | MNXM1459833 |
 |
| reference | hmdb:HMDB0195754 |
| formula | C58H112O17P2 |
| global charge | 0 |
| mol weight | 1143.465 |
| InChIKey | NARHECLBCCGCNE-SAMNPIAGSA-N |
| InChI | InChI=1S/C58H112O17P2/c1-6-9-12-15-18-21-23-26-32-37-42-56(61)69-47-53(74-57(62)43-38-33-27-24-22-19-16-13-10-7-2)49-72-76(64,65)70-45-52(59)46-71-77(66,67)73-50-54(48-68-55(60)41-36-31-25-20-17-14-11-8-3)75-58(63)44-39-34-29-28-30-35-40-51(4)5/h51-54,59H,6-50H2,1-5H3,(H,64,65)(H,66,67)/t52-,53-,54-/m1/s1 |
| SMILES | CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H112O17P2/c1-6-9-12-15-18-21-23-26-32-37-42-56(61)69-47-53(74-57(62)43-38-33-27-24-22-19-16-13-10-7-2)49-72-76(64,65)70-45-52(59)46-71-77(66,67)73-50-54(48-68-55(60)41-36-31-25-20-17-14-11-8-3)75-58(63)44-39-34-29-28-30-35-40-51(4)5/h51-54,59H,6-50H2,1-5H3,(H,64,65)(H,66,67)/t52-,53-,54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:9][CH2:12][CH2:15][CH2:18][CH2:21][CH2:23][CH2:26][CH2:32][CH2:37][CH2:42][C:56](=[O:61])[O:69][CH2:47][C@H:53]([CH2:49][O:72][P:76]([OH:64])(=[O:65])[O:70][CH2:45][C@H:52]([CH2:46][O:71][P:77]([OH:66])(=[O:67])[O:73][CH2:50][C@@H:54]([CH2:48][O:68][C:55]([CH2:41][CH2:36][CH2:31][CH2:25][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH3:3])=[O:60])[O:75][C:58]([CH2:44][CH2:39][CH2:34][CH2:29][CH2:28][CH2:30][CH2:35][CH2:40][CH:51]([CH3:4])[CH3:5])=[O:63])[OH:59])[O:74][C:57]([CH2:43][CH2:38][CH2:33][CH2:27][CH2:24][CH2:22][CH2:19][CH2:16][CH2:13][CH2:10][CH2:7][CH3:2])=[O:62] |
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