| Properties | Image |
|---|
| MNX_ID | MNXM1102352 |
 |
| reference | lipidmapsM:LMSP0504AQ04 |
| formula | C72H132N2O28 |
| global charge | 0 |
| mol weight | 1473.834 |
| InChIKey | VOTWNLFPBNPCNU-KZKAMYFOSA-N |
| InChI | InChI=1S/C72H132N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-52(82)74-45(46(81)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)43-93-69-61(90)59(88)64(51(42-79)98-69)99-71-62(91)66(56(85)49(40-77)96-71)101-68-53(73-44(3)80)65(55(84)48(39-76)94-68)100-72-63(92)67(57(86)50(41-78)97-72)102-70-60(89)58(87)54(83)47(38-75)95-70/h34,36,45-51,53-72,75-79,81,83-92H,4-33,35,37-43H2,1-3H3,(H,73,80)(H,74,82)/b36-34+/t45-,46+,47+,48+,49+,50+,51+,53+,54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66-,67-,68-,69+,70-,71-,72-/m0/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](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C72H132N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-52(82)74-45(46(81)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)43-93-69-61(90)59(88)64(51(42-79)98-69)99-71-62(91)66(56(85)49(40-77)96-71)101-68-53(73-44(3)80)65(55(84)48(39-76)94-68)100-72-63(92)67(57(86)50(41-78)97-72)102-70-60(89)58(87)54(83)47(38-75)95-70/h34,36,45-51,53-72,75-79,81,83-92H,4-33,35,37-43H2,1-3H3,(H,73,80)(H,74,82)/b36-34+/t45-,46+,47+,48+,49+,50+,51+,53+,54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66-,67-,68-,69+,70-,71-,72-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:52](=[N:74][C@@H:45]([CH2:43][O:93][C@H:69]1[C@H:61]([OH:90])[C@@H:59]([OH:88])[C@H:64]([O:99][C@H:71]2[C@H:62]([OH:91])[C@@H:66]([O:101][C@H:68]3[C@H:53]([N:73]=[C:44]([CH3:3])[OH:80])[C@@H:65]([O:100][C@H:72]4[C@H:63]([OH:92])[C@@H:67]([O:102][C@H:70]5[C@H:60]([OH:89])[C@@H:58]([OH:87])[C@@H:54]([OH:83])[C@@H:47]([CH2:38][OH:75])[O:95]5)[C@@H:57]([OH:86])[C@@H:50]([CH2:41][OH:78])[O:97]4)[C@H:55]([OH:84])[C@@H:48]([CH2:39][OH:76])[O:94]3)[C@@H:56]([OH:85])[C@@H:49]([CH2:40][OH:77])[O:96]2)[C@@H:51]([CH2:42][OH:79])[O:98]1)[C@@H:46](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:81])[OH:82] |
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