| Properties | Image |
|---|
| MNX_ID | MNXM1130868 |
 |
| reference | lipidmapsM:LMGL02060007 |
| formula | C95H185O17P |
| global charge | 0 |
| mol weight | 1630.482 |
| InChIKey | MOQSENVIGWKPST-NVZOWYEJSA-N |
| InChI | InChI=1S/C95H185O17P/c1-69-25-15-27-71(3)31-19-35-77(9)53-57-105-65-87(67-109-95-93(101)92(100)91(99)90(64-97)111-95)107-59-55-79(11)39-23-43-83-49-51-85(61-83)81(13)41-21-37-75(7)47-45-74(6)34-18-30-70(2)26-16-28-72(4)32-20-36-78(10)54-58-106-66-88(68-110-113(103,104)112-94(102)89(98)63-96)108-60-56-80(12)40-24-44-84-50-52-86(62-84)82(14)42-22-38-76(8)48-46-73(5)33-17-29-69/h69-102H,15-68H2,1-14H3,(H,103,104)/t69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90-,91+,92-,93-,94?,95-/m0/s1 |
| SMILES | CC1CCCC(C)CCCC(C)CCC(C)CCCC(C)C2CCC(CCCC(C)CCOC(COP(=O)(O)OC(O)C(O)CO)COCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)C3CCC(CCCC(C)CCOC(CO[C@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)COCCC(C)CCC1)C3)C2 |
MNX internals
| InChI (mnx) | InChI=1/C95H185O17P/c1-69-25-15-27-71(3)31-19-35-77(9)53-57-105-65-87(67-109-95-93(101)92(100)91(99)90(64-97)111-95)107-59-55-79(11)39-23-43-83-49-51-85(61-83)81(13)41-21-37-75(7)47-45-74(6)34-18-30-70(2)26-16-28-72(4)32-20-36-78(10)54-58-106-66-88(68-110-113(103,104)112-94(102)89(98)63-96)108-60-56-80(12)40-24-44-84-50-52-86(62-84)82(14)42-22-38-76(8)48-46-73(5)33-17-29-69/h69-102H,15-68H2,1-14H3,(H,103,104)/t69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90-,91+,92-,93-,94?,95-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:69]1[CH2:25][CH2:15][CH2:27][CH:71]([CH3:3])[CH2:31][CH2:19][CH2:35][CH:77]([CH3:9])[CH2:53][CH2:57][O:105][CH2:65][CH:87]([CH2:67][O:109][C@@H:95]2[C@@H:93]([OH:101])[C@@H:92]([OH:100])[C@H:91]([OH:99])[C@H:90]([CH2:64][OH:97])[O:111]2)[O:107][CH2:59][CH2:55][CH:79]([CH3:11])[CH2:39][CH2:23][CH2:43][CH:83]2[CH2:49][CH2:51][CH:85]([CH2:61]2)[CH:81]([CH3:13])[CH2:41][CH2:21][CH2:37][CH:75]([CH3:7])[CH2:47][CH2:45][CH:74]([CH3:6])[CH2:34][CH2:18][CH2:30][CH:70]([CH3:2])[CH2:26][CH2:16][CH2:28][CH:72]([CH3:4])[CH2:32][CH2:20][CH2:36][CH:78]([CH3:10])[CH2:54][CH2:58][O:106][CH2:66][CH:88]([CH2:68][O:110][P:113]([OH:103])(=[O:104])[O:112][CH:94]([CH:89]([CH2:63][OH:96])[OH:98])[OH:102])[O:108][CH2:60][CH2:56][CH:80]([CH3:12])[CH2:40][CH2:24][CH2:44][CH:84]2[CH2:50][CH2:52][CH:86]([CH2:62]2)[CH:82]([CH3:14])[CH2:42][CH2:22][CH2:38][CH:76]([CH3:8])[CH2:48][CH2:46][CH:73]([CH3:5])[CH2:33][CH2:17][CH2:29]1 |
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