| Properties | Image |
|---|
| MNX_ID | MNXM180689 |
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| reference | slm:000470965 |
| formula | C64H113O13P2 |
| global charge | -3 |
| mol weight | 1152.543 |
| InChIKey | ABGDMFBPRHRMER-UDWWHCAFSA-K |
| InChI | InChI=1S/C64H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-48-50-52-54-56-64(67)77-62(60-76-79(71,72)75-58-61(65)57-74-78(68,69)70)59-73-63(66)55-53-51-49-47-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,31,33,37,39,61-62,65H,3-5,7,9-11,13,15-17,19,21-23,25,27-30,32,34-36,38,40-60H2,1-2H3,(H,71,72)(H2,68,69,70)/p-3/b8-6-,14-12-,20-18-,26-24-,33-31-,39-37-/t61-,62+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-48-50-52-54-56-64(67)77-62(60-76-79(71,72)75-58-61(65)57-74-78(68,69)70)59-73-63(66)55-53-51-49-47-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,31,33,37,39,61-62,65H,3-5,7,9-11,13,15-17,19,21-23,25,27-30,32,34-36,38,40-60H2,1-2H3,(H,71,72)(H2,68,69,70)/b8-6-,14-12-,20-18-,26-24-,33-31-,39-37-/t61-,62+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:64](=[O:67])[O:77][C@H:62]([CH2:59][O:73][C:63]([CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:37]\[CH2:35]/[CH:33]=[CH:31]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:66])[CH2:60][O:76][P:79]([OH:71])(=[O:72])[O:75][CH2:58][C@H:61]([CH2:57][O:74][P:78]([OH:68])([OH:69])=[O:70])[OH:65] |
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