| Properties | Image |
|---|
| MNX_ID | MNXM25417 |
 |
| reference | lipidmapsM:LMGL02060005 |
| formula | C98H192O16 |
| global charge | 0 |
| mol weight | 1626.598 |
| InChIKey | CRTNZTPGZOLYIO-DHBPTEBISA-N |
| InChI | InChI=1S/C98H192O16/c1-71-29-17-33-75(5)41-25-49-83(13)57-61-107-67-87(65-99)109-63-59-85(15)51-27-43-77(7)35-19-31-73(3)39-23-47-81(11)55-53-80(10)46-22-38-72(2)30-18-34-76(6)42-26-50-84(14)58-62-108-68-88(69-111-97-96(106)94(104)92(102)90(114-97)70-112-98-95(105)93(103)91(101)89(66-100)113-98)110-64-60-86(16)52-28-44-78(8)36-20-32-74(4)40-24-48-82(12)56-54-79(9)45-21-37-71/h71-106H,17-70H2,1-16H3/t71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91-,92-,93?,94?,95+,96+,97-,98-/m1/s1 |
| SMILES | CC1CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(CO[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)[C@@H](O)C(O)[C@@H]2O)COCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(CO)COCCC(C)CCC1 |
MNX internals
| InChI (mnx) | InChI=1/C98H192O16/c1-71-29-17-33-75(5)41-25-49-83(13)57-61-107-67-87(65-99)109-63-59-85(15)51-27-43-77(7)35-19-31-73(3)39-23-47-81(11)55-53-80(10)46-22-38-72(2)30-18-34-76(6)42-26-50-84(14)58-62-108-68-88(69-111-97-96(106)94(104)92(102)90(114-97)70-112-98-95(105)93(103)91(101)89(66-100)113-98)110-64-60-86(16)52-28-44-78(8)36-20-32-74(4)40-24-48-82(12)56-54-79(9)45-21-37-71/h71-106H,17-70H2,1-16H3/t71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91-,92-,93?,94?,95+,96+,97-,98-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:71]1[CH2:29][CH2:17][CH2:33][CH:75]([CH3:5])[CH2:41][CH2:25][CH2:49][CH:83]([CH3:13])[CH2:57][CH2:61][O:107][CH2:67][CH:87]([CH2:65][OH:99])[O:109][CH2:63][CH2:59][CH:85]([CH3:15])[CH2:51][CH2:27][CH2:43][CH:77]([CH3:7])[CH2:35][CH2:19][CH2:31][CH:73]([CH3:3])[CH2:39][CH2:23][CH2:47][CH:81]([CH3:11])[CH2:55][CH2:53][CH:80]([CH3:10])[CH2:46][CH2:22][CH2:38][CH:72]([CH3:2])[CH2:30][CH2:18][CH2:34][CH:76]([CH3:6])[CH2:42][CH2:26][CH2:50][CH:84]([CH3:14])[CH2:58][CH2:62][O:108][CH2:68][CH:88]([CH2:69][O:111][C@H:97]2[C@@H:96]([OH:106])[CH:94]([OH:104])[C@H:92]([OH:102])[CH:90]([CH2:70][O:112][C@H:98]3[C@@H:95]([OH:105])[CH:93]([OH:103])[C@H:91]([OH:101])[CH:89]([CH2:66][OH:100])[O:113]3)[O:114]2)[O:110][CH2:64][CH2:60][CH:86]([CH3:16])[CH2:52][CH2:28][CH2:44][CH:78]([CH3:8])[CH2:36][CH2:20][CH2:32][CH:74]([CH3:4])[CH2:40][CH2:24][CH2:48][CH:82]([CH3:12])[CH2:56][CH2:54][CH:79]([CH3:9])[CH2:45][CH2:21][CH2:37]1 |
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