| Properties | Image |
|---|
| MNX_ID | MNXM346814 |
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| reference | slm:000443894 |
| formula | C55H101O22P4 |
| global charge | -7 |
| mol weight | 1238.287 |
| InChIKey | SPUXAXAETPEPKD-POMCTGGFSA-G |
| InChI | InChI=1S/C55H108O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(57)73-47(45-71-48(56)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)46-72-81(69,70)77-52-50(58)53(74-78(60,61)62)55(76-80(66,67)68)54(51(52)59)75-79(63,64)65/h17,19,47,50-55,58-59H,3-16,18,20-46H2,1-2H3,(H,69,70)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/p-7/b19-17-/t47-,50+,51+,52-,53+,54-,55-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C55H108O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(57)73-47(45-71-48(56)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)46-72-81(69,70)77-52-50(58)53(74-78(60,61)62)55(76-80(66,67)68)54(51(52)59)75-79(63,64)65/h17,19,47,50-55,58-59H,3-16,18,20-46H2,1-2H3,(H,69,70)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/b19-17-/t47-,50+,51+,52-,53+,54-,55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:57])[O:73][C@H:47]([CH2:45][O:71][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[CH2:46][O:72][P:81]([OH:69])(=[O:70])[O:77][C@@H:52]1[C@H:50]([OH:58])[C@H:53]([O:74][P:78]([OH:60])([OH:61])=[O:62])[C@@H:55]([O:76][P:80]([OH:66])([OH:67])=[O:68])[C@H:54]([O:75][P:79]([OH:63])([OH:64])=[O:65])[C@H:51]1[OH:59] |
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