| Properties | Image |
MNX_ID | MNXM938382 |
 |
reference | slm:000630767 |
formula | C83H141NO9P |
global charge | -1 |
mol weight | 1328.013 |
InChIKey | GZLFSPZADINNBT-SVTBMDHJSA-M |
InChI | InChI=1S/C83H142NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-39-40-41-42-43-45-46-48-50-53-56-59-62-65-68-71-74-82(86)90-78-80(79-92-94(88,89)91-77-76-84-81(85)73-70-67-64-61-58-55-52-27-24-21-18-15-12-9-6-3)93-83(87)75-72-69-66-63-60-57-54-51-49-47-44-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-35,37-38,47,49,52,54,57,80H,4-6,8-9,11-15,18,21-24,30-31,36,39-46,48,50-51,53,55-56,58-79H2,1-3H3,(H,84,85)(H,88,89)/p-1/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,38-37-,49-47-,52-27-,57-54-/t80-/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\CCCCCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C83H142NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-39-40-41-42-43-45-46-48-50-53-56-59-62-65-68-71-74-82(86)90-78-80(79-92-94(88,89)91-77-76-84-81(85)73-70-67-64-61-58-55-52-27-24-21-18-15-12-9-6-3)93-83(87)75-72-69-66-63-60-57-54-51-49-47-44-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,32-35,37-38,47,49,52,54,57,80H,4-6,8-9,11-15,18,21-24,30-31,36,39-46,48,50-51,53,55-56,58-79H2,1-3H3,(H,84,85)(H,88,89)/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,38-37-,49-47-,52-27-,57-54-/t80-/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]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:37]=[CH:38]\[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:45][CH2:46][CH2:48][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][CH2:71][CH2:74][C:82](=[O:86])[O:90][CH2:78][C@H:80]([CH2:79][O:92][P:94]([OH:88])(=[O:89])[O:91][CH2:77][CH2:76][N:84]=[C:81]([CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55]/[CH:52]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:85])[O:93][C:83]([CH2:75][CH2:72][CH2:69][CH2:66][CH2:63][CH2:60]/[CH:57]=[CH:54]\[CH2:51]/[CH:49]=[CH:47]\[CH2:44]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:87] |
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