| Properties | Image |
|---|
| MNX_ID | MNXM193263 |
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| reference | slm:000014621 |
| formula | C55H90O13P |
| global charge | -1 |
| mol weight | 990.286 |
| InChIKey | KAKGZQKQWGGQRY-DAASVQFFSA-M |
| InChI | InChI=1S/C55H91O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-48(56)65-45-47(46-66-69(63,64)68-55-53(61)51(59)50(58)52(60)54(55)62)67-49(57)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,47,50-55,58-62H,3-4,9-10,15-16,21,24,27-46H2,1-2H3,(H,63,64)/p-1/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t47-,50-,51-,52+,53-,54-,55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C55H91O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-48(56)65-45-47(46-66-69(63,64)68-55-53(61)51(59)50(58)52(60)54(55)62)67-49(57)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,47,50-55,58-62H,3-4,9-10,15-16,21,24,27-46H2,1-2H3,(H,63,64)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t47-,50-,51-,52+,53-,54-,55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:56])[O:65][CH2:45][C@H:47]([CH2:46][O:66][P:69]([OH:63])(=[O:64])[O:68][C@@H:55]1[C@H:53]([OH:61])[C@H:51]([OH:59])[C@@H:50]([OH:58])[C@H:52]([OH:60])[C@H:54]1[OH:62])[O:67][C:49]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:57] |
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