| Properties | Image |
MNX_ID | MNXM954139 |
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reference | slm:000646524 |
formula | C59H111NO9P |
global charge | -1 |
mol weight | 1009.509 |
InChIKey | SUNPWHATVFKWPW-TYBKSIGXSA-M |
InChI | InChI=1S/C59H112NO9P/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-58(62)66-54-56(69-59(63)51-48-45-42-39-34-21-18-15-12-9-6-3)55-68-70(64,65)67-53-52-60-57(61)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,56H,4-15,17-18,20-23,25,27-55H2,1-3H3,(H,60,61)(H,64,65)/p-1/b19-16-,26-24-/t56-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C59H112NO9P/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-58(62)66-54-56(69-59(63)51-48-45-42-39-34-21-18-15-12-9-6-3)55-68-70(64,65)67-53-52-60-57(61)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,56H,4-15,17-18,20-23,25,27-55H2,1-3H3,(H,60,61)(H,64,65)/b19-16-,26-24-/t56-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:58](=[O:62])[O:66][CH2:54][C@H:56]([CH2:55][O:68][P:70]([OH:64])(=[O:65])[O:67][CH2:53][CH2:52][N:60]=[C:57]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:35][CH2:32][CH2:30][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:61])[O:69][C:59]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63] |
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