| Properties | Image |
MNX_ID | MNXM938621 |
 |
reference | slm:000631006 |
formula | C60H107NO9P |
global charge | -1 |
mol weight | 1017.488 |
InChIKey | QHKWCVXERRESQA-XGZWCADNSA-M |
InChI | InChI=1S/C60H108NO9P/c1-4-7-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-48-51-59(63)67-55-57(56-69-71(65,66)68-54-53-61-58(62)50-47-9-6-3)70-60(64)52-49-46-44-42-39-19-17-15-13-11-8-5-2/h7,10,14,16,20-21,23-24,26-27,57H,4-6,8-9,11-13,15,17-19,22,25,28-56H2,1-3H3,(H,61,62)(H,65,66)/p-1/b10-7-,16-14-,21-20-,24-23-,27-26-/t57-/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)CCCCC)OC(=O)CCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C60H108NO9P/c1-4-7-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-48-51-59(63)67-55-57(56-69-71(65,66)68-54-53-61-58(62)50-47-9-6-3)70-60(64)52-49-46-44-42-39-19-17-15-13-11-8-5-2/h7,10,14,16,20-21,23-24,26-27,57H,4-6,8-9,11-13,15,17-19,22,25,28-56H2,1-3H3,(H,61,62)(H,65,66)/b10-7-,16-14-,21-20-,24-23-,27-26-/t57-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:41][CH2:43][CH2:45][CH2:48][CH2:51][C:59](=[O:63])[O:67][CH2:55][C@H:57]([CH2:56][O:69][P:71]([OH:65])(=[O:66])[O:68][CH2:54][CH2:53][N:61]=[C:58]([CH2:50][CH2:47][CH2:9][CH2:6][CH3:3])[OH:62])[O:70][C:60]([CH2:52][CH2:49][CH2:46][CH2:44][CH2:42][CH2:39][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64] |
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