| Properties | Image |
MNX_ID | MNXM967644 |
 |
reference | slm:000660029 |
formula | C73H127NO9P |
global charge | -1 |
mol weight | 1193.791 |
InChIKey | CMGCOGXOMPIMNL-DHUKGNIMSA-M |
InChI | InChI=1S/C73H128NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-38-40-41-43-45-47-49-51-53-55-58-61-64-72(76)80-68-70(69-82-84(78,79)81-67-66-74-71(75)63-60-57-12-9-6-3)83-73(77)65-62-59-56-54-52-50-48-46-44-42-39-30-28-26-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,27-30,32-33,42,44,70H,4-14,19-20,25-26,31,34-41,43,45-69H2,1-3H3,(H,74,75)(H,78,79)/p-1/b17-15-,18-16-,23-21-,24-22-,29-27-,30-28-,33-32-,44-42-/t70-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C73H128NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-38-40-41-43-45-47-49-51-53-55-58-61-64-72(76)80-68-70(69-82-84(78,79)81-67-66-74-71(75)63-60-57-12-9-6-3)83-73(77)65-62-59-56-54-52-50-48-46-44-42-39-30-28-26-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,27-30,32-33,42,44,70H,4-14,19-20,25-26,31,34-41,43,45-69H2,1-3H3,(H,74,75)(H,78,79)/b17-15-,18-16-,23-21-,24-22-,29-27-,30-28-,33-32-,44-42-/t70-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:58][CH2:61][CH2:64][C:72](=[O:76])[O:80][CH2:68][C@H:70]([CH2:69][O:82][P:84]([OH:78])(=[O:79])[O:81][CH2:67][CH2:66][N:74]=[C:71]([CH2:63][CH2:60][CH2:57][CH2:12][CH2:9][CH2:6][CH3:3])[OH:75])[O:83][C:73]([CH2:65][CH2:62][CH2:59][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46]/[CH:44]=[CH:42]\[CH2:39]/[CH:30]=[CH:28]\[CH2:26]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:77] |
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