| Properties | Image |
|---|
| MNX_ID | MNXM216460 |
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| reference | slm:000002330 |
| formula | C60H95NO10P |
| global charge | -1 |
| mol weight | 1021.391 |
| InChIKey | UJZQSDRJKFXOAJ-ULLGAIQVSA-M |
| InChI | InChI=1S/C60H96NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-31-33-35-37-39-41-43-45-47-49-51-58(62)68-53-56(54-69-72(66,67)70-55-57(61)60(64)65)71-59(63)52-50-48-46-44-42-40-38-36-34-32-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,28,30,32,34,38,40,56-57H,3-4,9-10,15-16,21-22,27,29,31,33,35-37,39,41-55,61H2,1-2H3,(H,64,65)(H,66,67)/p-1/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-28-,34-32-,40-38-/t56-,57+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C60H96NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-31-33-35-37-39-41-43-45-47-49-51-58(62)68-53-56(54-69-72(66,67)70-55-57(61)60(64)65)71-59(63)52-50-48-46-44-42-40-38-36-34-32-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,28,30,32,34,38,40,56-57H,3-4,9-10,15-16,21-22,27,29,31,33,35-37,39,41-55,61H2,1-2H3,(H,64,65)(H,66,67)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-28-,34-32-,40-38-/t56-,57+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:28]=[CH:30]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:58](=[O:62])[O:68][CH2:53][C@H:56]([CH2:54][O:69][P:72]([OH:66])(=[O:67])[O:70][CH2:55][C@@H:57]([C:60](=[O:64])[OH:65])[NH2:61])[O:71][C:59]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:29]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:63] |
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