| Properties | Image |
|---|
| MNX_ID | MNXM1453267 |
 |
| reference | hmdb:HMDB0189187 |
| formula | C58H112O17P2 |
| global charge | 0 |
| mol weight | 1143.465 |
| InChIKey | HQLBFXGTLGYUOR-SAMNPIAGSA-N |
| InChI | InChI=1S/C58H112O17P2/c1-7-9-11-13-15-16-17-18-19-21-30-36-42-57(62)74-53(47-69-56(61)41-35-29-24-22-26-32-38-50(3)4)48-72-76(64,65)70-44-52(59)45-71-77(66,67)73-49-54(46-68-55(60)40-34-28-20-14-12-10-8-2)75-58(63)43-37-31-25-23-27-33-39-51(5)6/h50-54,59H,7-49H2,1-6H3,(H,64,65)(H,66,67)/t52-,53-,54-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C58H112O17P2/c1-7-9-11-13-15-16-17-18-19-21-30-36-42-57(62)74-53(47-69-56(61)41-35-29-24-22-26-32-38-50(3)4)48-72-76(64,65)70-44-52(59)45-71-77(66,67)73-49-54(46-68-55(60)40-34-28-20-14-12-10-8-2)75-58(63)43-37-31-25-23-27-33-39-51(5)6/h50-54,59H,7-49H2,1-6H3,(H,64,65)(H,66,67)/t52-,53-,54-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:30][CH2:36][CH2:42][C:57](=[O:62])[O:74][C@H:53]([CH2:47][O:69][C:56]([CH2:41][CH2:35][CH2:29][CH2:24][CH2:22][CH2:26][CH2:32][CH2:38][CH:50]([CH3:3])[CH3:4])=[O:61])[CH2:48][O:72][P:76]([OH:64])(=[O:65])[O:70][CH2:44][C@H:52]([CH2:45][O:71][P:77]([OH:66])(=[O:67])[O:73][CH2:49][C@@H:54]([CH2:46][O:68][C:55]([CH2:40][CH2:34][CH2:28][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])=[O:60])[O:75][C:58]([CH2:43][CH2:37][CH2:31][CH2:25][CH2:23][CH2:27][CH2:33][CH2:39][CH:51]([CH3:5])[CH3:6])=[O:63])[OH:59] |
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