| Properties | Image |
|---|
| MNX_ID | MNXM965621 |
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| reference | slm:000658006 |
| formula | C70H117NO9P |
| global charge | -1 |
| mol weight | 1147.678 |
| InChIKey | PNLWLZUGYFHNHQ-GBXXZHRXSA-M |
| InChI | InChI=1S/C70H118NO9P/c1-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-34-36-38-40-42-44-48-52-56-60-69(73)77-64-67(80-70(74)61-57-53-49-45-46-50-54-58-66(3)4)65-79-81(75,76)78-63-62-71-68(72)59-55-51-47-43-41-39-37-35-33-24-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,25-26,28-29,33,35,39,41,47,51,66-67H,5-7,9,11-12,17-18,23-24,27,30-32,34,36-38,40,42-46,48-50,52-65H2,1-4H3,(H,71,72)(H,75,76)/p-1/b10-8-,15-13-,16-14-,21-19-,22-20-,26-25-,29-28-,35-33-,41-39-,51-47-/t67-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C70H118NO9P/c1-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-34-36-38-40-42-44-48-52-56-60-69(73)77-64-67(80-70(74)61-57-53-49-45-46-50-54-58-66(3)4)65-79-81(75,76)78-63-62-71-68(72)59-55-51-47-43-41-39-37-35-33-24-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,25-26,28-29,33,35,39,41,47,51,66-67H,5-7,9,11-12,17-18,23-24,27,30-32,34,36-38,40,42-46,48-50,52-65H2,1-4H3,(H,71,72)(H,75,76)/b10-8-,15-13-,16-14-,21-19-,22-20-,26-25-,29-28-,35-33-,41-39-,51-47-/t67-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:48][CH2:52][CH2:56][CH2:60][C:69](=[O:73])[O:77][CH2:64][C@H:67]([CH2:65][O:79][P:81]([OH:75])(=[O:76])[O:78][CH2:63][CH2:62][N:71]=[C:68]([CH2:59][CH2:55]/[CH:51]=[CH:47]\[CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:33]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])[OH:72])[O:80][C:70]([CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:46][CH2:50][CH2:54][CH2:58][CH:66]([CH3:3])[CH3:4])=[O:74] |
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