| Properties | Image |
|---|
| MNX_ID | MNXM1102999 |
 |
| reference | glycosphingo:PRDDBFIEEKDETM_KLOSKHKXSA_N |
| formula | C74H134N2O28 |
| global charge | 0 |
| mol weight | 1499.872 |
| InChIKey | PRDDBFIEEKDETM-KLOSKHKXSA-N |
| InChI | InChI=1S/C74H134N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-54(84)76-47(48(83)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)45-95-71-62(91)60(89)66(52(43-80)99-71)101-72-63(92)61(90)67(53(44-81)100-72)102-73-65(94)69(58(87)51(42-79)97-73)104-74-64(93)68(57(86)50(41-78)98-74)103-70-55(75-46(3)82)59(88)56(85)49(40-77)96-70/h18-19,36,38,47-53,55-74,77-81,83,85-94H,4-17,20-35,37,39-45H2,1-3H3,(H,75,82)(H,76,84)/b19-18-,38-36+/t47-,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+,74+/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[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]5NC(C)=O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H134N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-54(84)76-47(48(83)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)45-95-71-62(91)60(89)66(52(43-80)99-71)101-72-63(92)61(90)67(53(44-81)100-72)102-73-65(94)69(58(87)51(42-79)97-73)104-74-64(93)68(57(86)50(41-78)98-74)103-70-55(75-46(3)82)59(88)56(85)49(40-77)96-70/h18-19,36,38,47-53,55-74,77-81,83,85-94H,4-17,20-35,37,39-45H2,1-3H3,(H,75,82)(H,76,84)/b19-18-,38-36+/t47-,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+,74+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:54](=[N:76][C@@H:47]([CH2:45][O:95][C@H:71]1[C@H:62]([OH:91])[C@@H:60]([OH:89])[C@H:66]([O:101][C@H:72]2[C@H:63]([OH:92])[C@@H:61]([OH:90])[C@@H:67]([O:102][C@@H:73]3[C@H:65]([OH:94])[C@@H:69]([O:104][C@@H:74]4[C@H:64]([OH:93])[C@@H:68]([O:103][C@H:70]5[C@H:55]([N:75]=[C:46]([CH3:3])[OH:82])[C@@H:59]([OH:88])[C@@H:56]([OH:85])[C@@H:49]([CH2:40][OH:77])[O:96]5)[C@@H:57]([OH:86])[C@@H:50]([CH2:41][OH:78])[O:98]4)[C@@H:58]([OH:87])[C@@H:51]([CH2:42][OH:79])[O:97]3)[C@@H:53]([CH2:44][OH:81])[O:100]2)[C@@H:52]([CH2:43][OH:80])[O:99]1)[C@@H:48](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:83])[OH:84] |
|