| Properties | Image |
|---|
| MNX_ID | MNXM215630 |
 |
| reference | slm:000439998 |
| formula | C54H101O22P4 |
| global charge | -7 |
| mol weight | 1226.276 |
| InChIKey | YYSNVOQXWJXUQW-JUVSDFDYSA-G |
| InChI | InChI=1S/C54H108O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-33-36-39-42-48(56)72-46(43-70-47(55)41-38-35-32-30-27-28-31-34-37-40-45(2)3)44-71-80(68,69)76-51-49(57)52(73-77(59,60)61)54(75-79(65,66)67)53(50(51)58)74-78(62,63)64/h45-46,49-54,57-58H,4-44H2,1-3H3,(H,68,69)(H2,59,60,61)(H2,62,63,64)(H2,65,66,67)/p-7/t46-,49+,50+,51-,52+,53-,54-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)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/C54H108O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-33-36-39-42-48(56)72-46(43-70-47(55)41-38-35-32-30-27-28-31-34-37-40-45(2)3)44-71-80(68,69)76-51-49(57)52(73-77(59,60)61)54(75-79(65,66)67)53(50(51)58)74-78(62,63)64/h45-46,49-54,57-58H,4-44H2,1-3H3,(H,68,69)(H2,59,60,61)(H2,62,63,64)(H2,65,66,67)/t46-,49+,50+,51-,52+,53-,54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:29][CH2:33][CH2:36][CH2:39][CH2:42][C:48](=[O:56])[O:72][C@H:46]([CH2:43][O:70][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:30][CH2:27][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH:45]([CH3:2])[CH3:3])=[O:55])[CH2:44][O:71][P:80]([OH:68])(=[O:69])[O:76][C@@H:51]1[C@H:49]([OH:57])[C@H:52]([O:73][P:77]([OH:59])([OH:60])=[O:61])[C@@H:54]([O:75][P:79]([OH:65])([OH:66])=[O:67])[C@H:53]([O:74][P:78]([OH:62])([OH:63])=[O:64])[C@H:50]1[OH:58] |
|