| Properties | Image |
|---|
| MNX_ID | MNXM869655 |
 |
| reference | slm:000560633 |
| formula | C89H140O17P2 |
| global charge | -2 |
| mol weight | 1544.03 |
| InChIKey | KNVMZZSBASUPSM-ATDBZKDGSA-L |
| InChI | InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,11-13,15-16,21-28,33-38,41-46,51-52,55-56,63,67,83-85,90H,5-8,10,14,17-20,29-32,39-40,47-50,53-54,57-62,64-66,68-82H2,1-4H3,(H,95,96)(H,97,98)/p-2/b13-9-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,55-51-,56-52-,67-63-/t83?,84-,85-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C89H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-51-55-59-63-67-71-75-88(93)105-84(79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(80-100-87(92)74-70-66-62-58-54-50-46-36-32-28-24-20-16-12-8-4)106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2/h9,11-13,15-16,21-28,33-38,41-46,51-52,55-56,63,67,83-85,90H,5-8,10,14,17-20,29-32,39-40,47-50,53-54,57-62,64-66,68-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,55-51-,56-52-,67-63-/t83?,84-,85-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:39]/[CH:41]=[CH:43]\[CH2:47]/[CH:51]=[CH:55]\[CH2:59]/[CH:63]=[CH:67]\[CH2:71][CH2:75][C:88](=[O:93])[O:105][C@H:84]([CH2:79][O:99][C:86]([CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49]/[CH:45]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19]/[CH:15]=[CH:11]\[CH2:7][CH3:3])=[O:91])[CH2:81][O:103][P:107]([OH:95])(=[O:96])[O:101][CH2:77][CH:83]([CH2:78][O:102][P:108]([OH:97])(=[O:98])[O:104][CH2:82][C@@H:85]([CH2:80][O:100][C:87]([CH2:74][CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50]/[CH:46]=[CH:36]\[CH2:32]/[CH:28]=[CH:24]\[CH2:20]/[CH:16]=[CH:12]\[CH2:8][CH3:4])=[O:92])[O:106][C:89]([CH2:76][CH2:72][CH2:68][CH2:64][CH2:60]/[CH:56]=[CH:52]\[CH2:48]/[CH:44]=[CH:42]\[CH2:40]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:94])[OH:90] |
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