| Properties | Image |
|---|
| MNX_ID | MNXM24067 |
 |
| reference | glycosphingo:RGIHQZXXVWJHSV_NGQNSCDRSA_M |
| formula | C75H134N3O31 |
| global charge | -1 |
| mol weight | 1573.887 |
| InChIKey | RGIHQZXXVWJHSV-NGQNSCDRSA-M |
| InChI | InChI=1S/C75H135N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(88)78-46(47(85)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-100-71-64(96)62(94)66(52(41-82)104-71)106-73-65(97)69(60(92)51(40-81)103-73)108-70-56(77-45(4)84)67(59(91)50(39-80)102-70)107-72-63(95)61(93)58(90)53(105-72)43-101-75(74(98)99)37-48(86)55(76-44(3)83)68(109-75)57(89)49(87)38-79/h33,35,46-53,55-73,79-82,85-87,89-97H,5-32,34,36-43H2,1-4H3,(H,76,83)(H,77,84)(H,78,88)(H,98,99)/p-1/b35-33+/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](NC(C)=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)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C75H135N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(88)78-46(47(85)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-100-71-64(96)62(94)66(52(41-82)104-71)106-73-65(97)69(60(92)51(40-81)103-73)108-70-56(77-45(4)84)67(59(91)50(39-80)102-70)107-72-63(95)61(93)58(90)53(105-72)43-101-75(74(98)99)37-48(86)55(76-44(3)83)68(109-75)57(89)49(87)38-79/h33,35,46-53,55-73,79-82,85-87,89-97H,5-32,34,36-43H2,1-4H3,(H,76,83)(H,77,84)(H,78,88)(H,98,99)/b35-33+/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][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:54](=[N:78][C@@H:46]([CH2:42][O:100][C@H:71]1[C@H:64]([OH:96])[C@@H:62]([OH:94])[C@H:66]([O:106][C@H:73]2[C@H:65]([OH:97])[C@@H:69]([O:108][C@H:70]3[C@H:56]([N:77]=[C:45]([CH3:4])[OH:84])[C@@H:67]([O:107][C@H:72]4[C@H:63]([OH:95])[C@@H:61]([OH:93])[C@@H:58]([OH:90])[C@@H:53]([CH2:43][O:101][C@:75]5([C:74](=[O:98])[OH:99])[CH2:37][C@H:48]([OH:86])[C@@H:55]([N:76]=[C:44]([CH3:3])[OH:83])[C@H:68]([C@@H:57]([C@@H:49]([CH2:38][OH:79])[OH:87])[OH:89])[O:109]5)[O:105]4)[C@H:59]([OH:91])[C@@H:50]([CH2:39][OH:80])[O:102]3)[C@@H:60]([OH:92])[C@@H:51]([CH2:40][OH:81])[O:103]2)[C@@H:52]([CH2:41][OH:82])[O:104]1)[C@@H:47](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:85])[OH:88] |
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