| Properties | Image |
|---|
| MNX_ID | MNXM956765 |
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| reference | slm:000649150 |
| formula | C65H111NO9P |
| global charge | -1 |
| mol weight | 1081.575 |
| InChIKey | GXBWQUAWBDMJST-ZHMKJYBDSA-M |
| InChI | InChI=1S/C65H112NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-54-57-65(69)75-62(61-74-76(70,71)73-59-58-66-63(67)55-52-9-6-3)60-72-64(68)56-53-50-48-46-44-42-40-38-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,25-26,28-29,40,42,62H,4-6,8-9,11-13,18-19,24,27,30-39,41,43-61H2,1-3H3,(H,66,67)(H,70,71)/p-1/b10-7-,16-14-,17-15-,22-20-,23-21-,26-25-,29-28-,42-40-/t62-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H112NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-54-57-65(69)75-62(61-74-76(70,71)73-59-58-66-63(67)55-52-9-6-3)60-72-64(68)56-53-50-48-46-44-42-40-38-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,25-26,28-29,40,42,62H,4-6,8-9,11-13,18-19,24,27,30-39,41,43-61H2,1-3H3,(H,66,67)(H,70,71)/b10-7-,16-14-,17-15-,22-20-,23-21-,26-25-,29-28-,42-40-/t62-/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:22]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:54][CH2:57][C:65](=[O:69])[O:75][C@H:62]([CH2:60][O:72][C:64]([CH2:56][CH2:53][CH2:50][CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68])[CH2:61][O:74][P:76]([OH:70])(=[O:71])[O:73][CH2:59][CH2:58][N:66]=[C:63]([CH2:55][CH2:52][CH2:9][CH2:6][CH3:3])[OH:67] |
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