| Properties | Image |
|---|
| MNX_ID | MNXM231285 |
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| reference | slm:000453287 |
| formula | C54H93O16P2 |
| global charge | -3 |
| mol weight | 1060.27 |
| InChIKey | PYEQUKBNYUDZOT-KRUPJLMLSA-K |
| InChI | InChI=1S/C54H96O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32-35-38-41-47(55)66-43-46(68-48(56)42-39-36-33-30-27-28-31-34-37-40-45(2)3)44-67-72(64,65)70-54-51(59)49(57)50(58)53(52(54)60)69-71(61,62)63/h5-6,8-9,11-12,14-15,17-18,45-46,49-54,57-60H,4,7,10,13,16,19-44H2,1-3H3,(H,64,65)(H2,61,62,63)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-/t46-,49+,50+,51-,52-,53-,54+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C54H96O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32-35-38-41-47(55)66-43-46(68-48(56)42-39-36-33-30-27-28-31-34-37-40-45(2)3)44-67-72(64,65)70-54-51(59)49(57)50(58)53(52(54)60)69-71(61,62)63/h5-6,8-9,11-12,14-15,17-18,45-46,49-54,57-60H,4,7,10,13,16,19-44H2,1-3H3,(H,64,65)(H2,61,62,63)/b6-5-,9-8-,12-11-,15-14-,18-17-/t46-,49+,50+,51-,52-,53-,54+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][C:47](=[O:55])[O:66][CH2:43][C@H:46]([CH2:44][O:67][P:72]([OH:64])(=[O:65])[O:70][C@H:54]1[C@H:51]([OH:59])[C@@H:49]([OH:57])[C@H:50]([OH:58])[C@@H:53]([O:69][P:71]([OH:61])([OH:62])=[O:63])[C@H:52]1[OH:60])[O:68][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH:45]([CH3:2])[CH3:3])=[O:56] |
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