| Properties | Image |
|---|
| MNX_ID | MNXM225673 |
 |
| reference | slm:000433966 |
| formula | C63H101O16P2 |
| global charge | -3 |
| mol weight | 1176.433 |
| InChIKey | TTYKHQWNCOSKHF-FIZOEXOXSA-K |
| InChI | InChI=1S/C63H104O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-51-56(64)75-53-55(54-76-81(73,74)79-63-60(68)58(66)59(67)62(61(63)69)78-80(70,71)72)77-57(65)52-50-48-46-44-42-40-38-36-33-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,29-30,33,36,40,42,55,58-63,66-69H,3-4,6,8-10,15-16,21-22,25,28,31-32,34-35,37-39,41,43-54H2,1-2H3,(H,73,74)(H2,70,71,72)/p-3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,36-33-,42-40-/t55-,58-,59-,60-,61-,62+,63-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H104O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-51-56(64)75-53-55(54-76-81(73,74)79-63-60(68)58(66)59(67)62(61(63)69)78-80(70,71)72)77-57(65)52-50-48-46-44-42-40-38-36-33-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,29-30,33,36,40,42,55,58-63,66-69H,3-4,6,8-10,15-16,21-22,25,28,31-32,34-35,37-39,41,43-54H2,1-2H3,(H,73,74)(H2,70,71,72)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,36-33-,42-40-/t55-,58-,59-,60-,61-,62+,63-/m1/s1 |
 |
| 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:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:56](=[O:64])[O:75][CH2:53][C@H:55]([CH2:54][O:76][P:81]([OH:73])(=[O:74])[O:79][C@@H:63]1[C@H:60]([OH:68])[C@H:58]([OH:66])[C@@H:59]([OH:67])[C@H:62]([O:78][P:80]([OH:70])([OH:71])=[O:72])[C@H:61]1[OH:69])[O:77][C:57]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:33]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:65] |
|