| Properties | Image |
|---|
| MNX_ID | MNXM343822 |
 |
| reference | slm:000495387 |
| formula | C51H87O16P2 |
| global charge | -3 |
| mol weight | 1018.189 |
| InChIKey | VJURRGMGISWAMC-NKLHLRNLSA-K |
| InChI | InChI=1S/C51H90O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-45(53)65-43(41-63-44(52)39-4-2)42-64-69(61,62)67-51-48(56)46(54)50(47(55)49(51)57)66-68(58,59)60/h8-9,11-12,14-15,17-18,20-21,43,46-51,54-57H,3-7,10,13,16,19,22-42H2,1-2H3,(H,61,62)(H2,58,59,60)/p-3/b9-8-,12-11-,15-14-,18-17-,21-20-/t43-,46-,47+,48-,49-,50+,51+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C51H90O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-45(53)65-43(41-63-44(52)39-4-2)42-64-69(61,62)67-51-48(56)46(54)50(47(55)49(51)57)66-68(58,59)60/h8-9,11-12,14-15,17-18,20-21,43,46-51,54-57H,3-7,10,13,16,19,22-42H2,1-2H3,(H,61,62)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-/t43-,46-,47+,48-,49-,50+,51+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][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][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][C:45](=[O:53])[O:65][C@H:43]([CH2:41][O:63][C:44]([CH2:39][CH2:4][CH3:2])=[O:52])[CH2:42][O:64][P:69]([OH:61])(=[O:62])[O:67][C@H:51]1[C@H:48]([OH:56])[C@@H:46]([OH:54])[C@H:50]([O:66][P:68]([OH:58])([OH:59])=[O:60])[C@@H:47]([OH:55])[C@H:49]1[OH:57] |
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