| Properties | Image |
|---|
| MNX_ID | MNXM160195 |
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| reference | lipidmapsM:LMGP15010248 |
| formula | C76H137O43P |
| global charge | 0 |
| mol weight | 1769.863 |
| InChIKey | UNUURWXFLLFGSB-LDANBPMVSA-N |
| InChI | InChI=1S/C76H137O43P/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-45(79)104-32-38(110-46(80)29-27-25-23-21-18-14-12-10-8-6-4-2)33-109-120(102,103)119-70-68(117-75-66(100)54(88)48(82)40(31-78)112-75)60(94)59(93)61(95)69(70)118-76-67(101)58(92)52(86)44(116-76)37-108-74-65(99)57(91)51(85)43(115-74)36-107-73-64(98)56(90)50(84)42(114-73)35-106-72-63(97)55(89)49(83)41(113-72)34-105-71-62(96)53(87)47(81)39(30-77)111-71/h38-44,47-78,81-101H,3-37H2,1-2H3,(H,102,103)/t38-,39-,40-,41-,42-,43-,44-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75-,76-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C76H137O43P/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-45(79)104-32-38(110-46(80)29-27-25-23-21-18-14-12-10-8-6-4-2)33-109-120(102,103)119-70-68(117-75-66(100)54(88)48(82)40(31-78)112-75)60(94)59(93)61(95)69(70)118-76-67(101)58(92)52(86)44(116-76)37-108-74-65(99)57(91)51(85)43(115-74)36-107-73-64(98)56(90)50(84)42(114-73)35-106-72-63(97)55(89)49(83)41(113-72)34-105-71-62(96)53(87)47(81)39(30-77)111-71/h38-44,47-78,81-101H,3-37H2,1-2H3,(H,102,103)/t38-,39-,40-,41-,42-,43-,44-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75-,76-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][C:45](=[O:79])[O:104][CH2:32][C@H:38]([CH2:33][O:109][P:120]([OH:102])(=[O:103])[O:119][C@@H:70]1[C@@H:68]([O:117][C@@H:75]2[C@@H:66]([OH:100])[C@@H:54]([OH:88])[C@H:48]([OH:82])[C@@H:40]([CH2:31][OH:78])[O:112]2)[C@H:60]([OH:94])[C@@H:59]([OH:93])[C@H:61]([OH:95])[C@@H:69]1[O:118][C@@H:76]1[C@@H:67]([OH:101])[C@@H:58]([OH:92])[C@H:52]([OH:86])[C@@H:44]([CH2:37][O:108][C@@H:74]2[C@@H:65]([OH:99])[C@@H:57]([OH:91])[C@H:51]([OH:85])[C@@H:43]([CH2:36][O:107][C@@H:73]3[C@@H:64]([OH:98])[C@@H:56]([OH:90])[C@H:50]([OH:84])[C@@H:42]([CH2:35][O:106][C@@H:72]4[C@@H:63]([OH:97])[C@@H:55]([OH:89])[C@H:49]([OH:83])[C@@H:41]([CH2:34][O:105][C@@H:71]5[C@@H:62]([OH:96])[C@@H:53]([OH:87])[C@H:47]([OH:81])[C@@H:39]([CH2:30][OH:77])[O:111]5)[O:113]4)[O:114]3)[O:115]2)[O:116]1)[O:110][C:46]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:80] |
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