| Properties | Image |
|---|
| MNX_ID | MNXM186381 |
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| reference | slm:000464822 |
| formula | C54H90O19P3 |
| global charge | -5 |
| mol weight | 1136.217 |
| InChIKey | CZMRAJWKDXHQMY-CNDVNXDFSA-I |
| InChI | InChI=1S/C54H95O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-36-39-42-48(56)70-46(43-68-47(55)41-38-35-33-30-31-34-37-40-45(2)3)44-69-76(66,67)73-52-49(57)50(58)53(71-74(60,61)62)54(51(52)59)72-75(63,64)65/h5-6,8-9,11-12,14-15,17-18,20-21,45-46,49-54,57-59H,4,7,10,13,16,19,22-44H2,1-3H3,(H,66,67)(H2,60,61,62)(H2,63,64,65)/p-5/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/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\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C54H95O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-36-39-42-48(56)70-46(43-68-47(55)41-38-35-33-30-31-34-37-40-45(2)3)44-69-76(66,67)73-52-49(57)50(58)53(71-74(60,61)62)54(51(52)59)72-75(63,64)65/h5-6,8-9,11-12,14-15,17-18,20-21,45-46,49-54,57-59H,4,7,10,13,16,19,22-44H2,1-3H3,(H,66,67)(H2,60,61,62)(H2,63,64,65)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/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]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:32][CH2:36][CH2:39][CH2:42][C:48](=[O:56])[O:70][C@H:46]([CH2:43][O:68][C:47]([CH2:41][CH2:38][CH2:35][CH2:33][CH2:30][CH2:31][CH2:34][CH2:37][CH2:40][CH:45]([CH3:2])[CH3:3])=[O:55])[CH2:44][O:69][P:76]([OH:66])(=[O:67])[O:73][C@@H:52]1[C@H:49]([OH:57])[C@H:50]([OH:58])[C@@H:53]([O:71][P:74]([OH:60])([OH:61])=[O:62])[C@H:54]([O:72][P:75]([OH:63])([OH:64])=[O:65])[C@H:51]1[OH:59] |
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