| Properties | Image |
|---|
| MNX_ID | MNXM22867 |
 |
| reference | lipidmapsM:LMSP0504AI02 |
| formula | C74H134N2O31 |
| global charge | 0 |
| mol weight | 1547.869 |
| InChIKey | MVPLPVQHTURSJJ-UUHRELDQSA-N |
| InChI | InChI=1S/C74H134N2O31/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-50(83)76-44(45(82)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)40-96-70-62(94)59(91)64(48(38-79)102-70)103-73-63(95)67(55(87)47(37-78)99-73)106-69-51(75-43(5)81)66(65(49(39-80)101-69)104-71-60(92)56(88)52(84)41(3)97-71)105-74-68(58(90)54(86)46(36-77)100-74)107-72-61(93)57(89)53(85)42(4)98-72/h32,34,41-42,44-49,51-74,77-80,82,84-95H,6-31,33,35-40H2,1-5H3,(H,75,81)(H,76,83)/b34-32+/t41-,42-,44+,45-,46-,47-,48-,49-,51-,52-,53-,54+,55+,56-,57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67+,68-,69+,70-,71-,72-,73+,74+/m1/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H134N2O31/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-50(83)76-44(45(82)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)40-96-70-62(94)59(91)64(48(38-79)102-70)103-73-63(95)67(55(87)47(37-78)99-73)106-69-51(75-43(5)81)66(65(49(39-80)101-69)104-71-60(92)56(88)52(84)41(3)97-71)105-74-68(58(90)54(86)46(36-77)100-74)107-72-61(93)57(89)53(85)42(4)98-72/h32,34,41-42,44-49,51-74,77-80,82,84-95H,6-31,33,35-40H2,1-5H3,(H,75,81)(H,76,83)/b34-32+/t41-,42-,44+,45-,46-,47-,48-,49-,51-,52-,53-,54+,55+,56-,57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67+,68-,69+,70-,71-,72-,73+,74+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:50](=[N:76][C@@H:44]([CH2:40][O:96][C@H:70]1[C@H:62]([OH:94])[C@@H:59]([OH:91])[C@H:64]([O:103][C@H:73]2[C@H:63]([OH:95])[C@@H:67]([O:106][C@H:69]3[C@H:51]([N:75]=[C:43]([CH3:5])[OH:81])[C@@H:66]([O:105][C@H:74]4[C@H:68]([O:107][C@@H:72]5[C@@H:61]([OH:93])[C@H:57]([OH:89])[C@H:53]([OH:85])[C@@H:42]([CH3:4])[O:98]5)[C@@H:58]([OH:90])[C@@H:54]([OH:86])[C@@H:46]([CH2:36][OH:77])[O:100]4)[C@H:65]([O:104][C@@H:71]4[C@@H:60]([OH:92])[C@H:56]([OH:88])[C@H:52]([OH:84])[C@@H:41]([CH3:3])[O:97]4)[C@@H:49]([CH2:39][OH:80])[O:101]3)[C@@H:55]([OH:87])[C@@H:47]([CH2:37][OH:78])[O:99]2)[C@@H:48]([CH2:38][OH:79])[O:102]1)[C@@H:45](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:82])[OH:83] |
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