| Properties | Image |
|---|
| MNX_ID | MNXM25697 |
 |
| reference | glycosphingo:WULCXSYJHYSNSD_KXNFWQINSA_N |
| formula | C67H122N2O26 |
| global charge | 0 |
| mol weight | 1371.701 |
| InChIKey | WULCXSYJHYSNSD-KXNFWQINSA-N |
| InChI | InChI=1S/C67H122N2O26/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-50(78)69-43(44(75)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-88-64-57(84)56(83)59(48(39-72)90-64)92-65-58(85)62(95-67(66(86)87)36-45(76)52(79)61(94-67)53(80)46(77)37-70)60(49(40-73)91-65)93-63-51(68-42(3)74)55(82)54(81)47(38-71)89-63/h32,34,43-49,51-65,70-73,75-77,79-85H,4-31,33,35-41H2,1-3H3,(H,68,74)(H,69,78)(H,86,87)/b34-32+/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+,65-,67-/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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H122N2O26/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-50(78)69-43(44(75)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-88-64-57(84)56(83)59(48(39-72)90-64)92-65-58(85)62(95-67(66(86)87)36-45(76)52(79)61(94-67)53(80)46(77)37-70)60(49(40-73)91-65)93-63-51(68-42(3)74)55(82)54(81)47(38-71)89-63/h32,34,43-49,51-65,70-73,75-77,79-85H,4-31,33,35-41H2,1-3H3,(H,68,74)(H,69,78)(H,86,87)/b34-32+/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+,65-,67-/m0/s1 |
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| 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][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:50](=[N:69][C@@H:43]([CH2:41][O:88][C@H:64]1[C@H:57]([OH:84])[C@@H:56]([OH:83])[C@H:59]([O:92][C@H:65]2[C@H:58]([OH:85])[C@@H:62]([O:95][C@:67]3([C:66](=[O:86])[OH:87])[CH2:36][C@H:45]([OH:76])[C@@H:52]([OH:79])[C@H:61]([C@@H:53]([C@@H:46]([CH2:37][OH:70])[OH:77])[OH:80])[O:94]3)[C@@H:60]([O:93][C@H:63]3[C@H:51]([N:68]=[C:42]([CH3:3])[OH:74])[C@@H:55]([OH:82])[C@@H:54]([OH:81])[C@@H:47]([CH2:38][OH:71])[O:89]3)[C@@H:49]([CH2:40][OH:73])[O:91]2)[C@@H:48]([CH2:39][OH:72])[O:90]1)[C@@H:44](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:75])[OH:78] |
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