| Properties | Image |
|---|
| MNX_ID | MNXM25941 |
 |
| reference | lipidmapsM:LMSP0601EC04 |
| formula | C75H136N2O31 |
| global charge | 0 |
| mol weight | 1561.896 |
| InChIKey | QQMFNNFOVYPPPY-DGTANUEISA-N |
| InChI | InChI=1S/C75H136N2O31/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-54(86)77-46(47(83)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)43-99-71-64(95)62(93)66(52(42-81)103-71)105-73-65(96)68(60(91)51(41-80)102-73)107-70-55(76-45(3)82)67(59(90)50(40-79)101-70)106-72-63(94)61(92)58(89)53(104-72)44-100-75(74(97)98)38-48(84)56(87)69(108-75)57(88)49(85)39-78/h34,36,46-53,55-73,78-81,83-85,87-96H,4-33,35,37-44H2,1-3H3,(H,76,82)(H,77,86)(H,97,98)/b36-34+/t46-,47+,48-,49+,50+,51+,52+,53+,55+,56+,57+,58-,59+,60-,61-,62+,63+,64+,65+,66+,67+,68-,69+,70-,71+,72-,73-,75+/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@]5(C(=O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O5)[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)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C75H136N2O31/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-54(86)77-46(47(83)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)43-99-71-64(95)62(93)66(52(42-81)103-71)105-73-65(96)68(60(91)51(41-80)102-73)107-70-55(76-45(3)82)67(59(90)50(40-79)101-70)106-72-63(94)61(92)58(89)53(104-72)44-100-75(74(97)98)38-48(84)56(87)69(108-75)57(88)49(85)39-78/h34,36,46-53,55-73,78-81,83-85,87-96H,4-33,35,37-44H2,1-3H3,(H,76,82)(H,77,86)(H,97,98)/b36-34+/t46-,47+,48-,49+,50+,51+,52+,53+,55+,56+,57+,58-,59+,60-,61-,62+,63+,64+,65+,66+,67+,68-,69+,70-,71+,72-,73-,75+/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:54](=[N:77][C@@H:46]([CH2:43][O:99][C@H:71]1[C@H:64]([OH:95])[C@@H:62]([OH:93])[C@H:66]([O:105][C@H:73]2[C@H:65]([OH:96])[C@@H:68]([O:107][C@H:70]3[C@H:55]([N:76]=[C:45]([CH3:3])[OH:82])[C@@H:67]([O:106][C@H:72]4[C@H:63]([OH:94])[C@@H:61]([OH:92])[C@@H:58]([OH:89])[C@@H:53]([CH2:44][O:100][C@:75]5([C:74](=[O:97])[OH:98])[CH2:38][C@H:48]([OH:84])[C@@H:56]([OH:87])[C@H:69]([C@@H:57]([C@@H:49]([CH2:39][OH:78])[OH:85])[OH:88])[O:108]5)[O:104]4)[C@H:59]([OH:90])[C@@H:50]([CH2:40][OH:79])[O:101]3)[C@@H:60]([OH:91])[C@@H:51]([CH2:41][OH:80])[O:102]2)[C@@H:52]([CH2:42][OH:81])[O:103]1)[C@@H:47](/[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:83])[OH:86] |
|