| Properties | Image |
MNX_ID | MNXM363929 |
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reference | slm:000007445 |
formula | C54H101NO10P |
global charge | -1 |
mol weight | 955.373 |
InChIKey | FGTYJCIVKOBARI-KZTFRIKVSA-M |
InChI | InChI=1S/C54H102NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,50-51H,3-11,13,15-17,19,21-49,55H2,1-2H3,(H,58,59)(H,60,61)/p-1/b14-12-,20-18-/t50-,51+/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
InChI (mnx) | InChI=1/C54H102NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,50-51H,3-11,13,15-17,19,21-49,55H2,1-2H3,(H,58,59)(H,60,61)/b14-12-,20-18-/t50-,51+/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:52](=[O:56])[O:62][CH2:47][C@H:50]([CH2:48][O:63][P:66]([OH:60])(=[O:61])[O:64][CH2:49][C@@H:51]([C:54](=[O:58])[OH:59])[NH2:55])[O:65][C:53]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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