| Properties | Image |
MNX_ID | MNXM938644 |
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reference | slm:000631029 |
formula | C74H131NO9P |
global charge | -1 |
mol weight | 1209.834 |
InChIKey | CUNJCTXGKBGNNI-GYBRUVJVSA-M |
InChI | InChI=1S/C74H132NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-48-50-53-56-59-62-65-73(77)81-69-71(84-74(78)66-63-60-57-54-51-47-27-24-21-18-15-12-9-6-3)70-83-85(79,80)82-68-67-75-72(76)64-61-58-55-52-49-46-44-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30-31,33-34,44,71H,4-6,8-9,11-15,18,21-24,27,29,32,35-43,45-70H2,1-3H3,(H,75,76)(H,79,80)/p-1/b10-7-,19-16-,20-17-,28-25-,31-30-,34-33-,44-26-/t71-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C74H132NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-48-50-53-56-59-62-65-73(77)81-69-71(84-74(78)66-63-60-57-54-51-47-27-24-21-18-15-12-9-6-3)70-83-85(79,80)82-68-67-75-72(76)64-61-58-55-52-49-46-44-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28,30-31,33-34,44,71H,4-6,8-9,11-15,18,21-24,27,29,32,35-43,45-70H2,1-3H3,(H,75,76)(H,79,80)/b10-7-,19-16-,20-17-,28-25-,31-30-,34-33-,44-26-/t71-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:45][CH2:48][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][C:73](=[O:77])[O:81][CH2:69][C@H:71]([CH2:70][O:83][P:85]([OH:79])(=[O:80])[O:82][CH2:68][CH2:67][N:75]=[C:72]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46]/[CH:44]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:76])[O:84][C:74]([CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:47][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:78] |
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