| Properties | Image |
MNX_ID | MNXM964005 |
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reference | slm:000656390 |
formula | C63H111NO9P |
global charge | -1 |
mol weight | 1057.553 |
InChIKey | TYYASFILWNTNHR-QTCBVJFRSA-M |
InChI | InChI=1S/C63H112NO9P/c1-4-7-10-13-16-18-20-22-24-26-27-28-29-30-31-32-33-35-36-38-40-42-45-48-51-54-62(66)70-58-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-15-12-9-6-3)73-63(67)55-52-49-46-43-41-39-37-34-25-23-21-19-17-14-11-8-5-2/h16-19,22-25,27-28,30-31,60H,4-15,20-21,26,29,32-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b18-16-,19-17-,24-22-,25-23-,28-27-,31-30-/t60-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C63H112NO9P/c1-4-7-10-13-16-18-20-22-24-26-27-28-29-30-31-32-33-35-36-38-40-42-45-48-51-54-62(66)70-58-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-15-12-9-6-3)73-63(67)55-52-49-46-43-41-39-37-34-25-23-21-19-17-14-11-8-5-2/h16-19,22-25,27-28,30-31,60H,4-15,20-21,26,29,32-59H2,1-3H3,(H,64,65)(H,68,69)/b18-16-,19-17-,24-22-,25-23-,28-27-,31-30-/t60-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:62](=[O:66])[O:70][CH2:58][C@H:60]([CH2:59][O:72][P:74]([OH:68])(=[O:69])[O:71][CH2:57][CH2:56][N:64]=[C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65])[O:73][C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:41][CH2:39][CH2:37][CH2:34]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:67] |
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