| Properties | Image |
|---|
| MNX_ID | MNXM161543 |
 |
| reference | chebi:52923 |
| formula | C68H101N3O14PS2 |
| global charge | -1 |
| mol weight | 1279.671 |
| InChIKey | JALOZFRSAHEMML-UHFFFAOYSA-M |
| InChI | InChI=1S/C68H102N3O14PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-62(72)81-50-54(84-63(73)38-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51-83-86(74,75)82-46-41-69-87(76,77)55-39-40-56(61(49-55)88(78,79)80)64-59-47-52-33-29-42-70-44-31-35-57(65(52)70)67(59)85-68-58-36-32-45-71-43-30-34-53(66(58)71)48-60(64)68/h39-40,47-49,54,69H,3-38,41-46,50-51H2,1-2H3,(H-,74,75,78,79,80)/p-1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNS(=O)(=O)C1=CC=C(C2=C3C=C4CCC[N+]5=C4C(=C3OC3=C2C=C2CCCN4CCCC3=C24)CCC5)C(S(=O)(=O)[O-])=C1)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H102N3O14PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-62(72)81-50-54(84-63(73)38-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51-83-86(74,75)82-46-41-69-87(76,77)55-39-40-56(61(49-55)88(78,79)80)64-59-47-52-33-29-42-70-44-31-35-57(65(52)70)67(59)85-68-58-36-32-45-71-43-30-34-53(66(58)71)48-60(64)68/h39-40,47-49,54,69H,3-38,41-46,50-51H2,1-2H3,(H-,74,75,78,79,80)/t54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:37][C:62](=[O:72])[O:81][CH2:50][CH:54]([CH2:51][O:83][P:86](=[O:74])([OH:75])[O:82][CH2:46][CH2:41][NH:69][S:87]([C:55]1=[CH:49][C:61]([S:88]([O-:78])(=[O:79])=[O:80])=[C:56]([C:64]2=[C:60]3[CH:48]=[C:53]4[CH2:34][CH2:30][CH2:43][N:71]5[CH2:45][CH2:32][CH2:36][C:58](=[C:66]45)[C:68]3=[O+:85][C:67]3=[C:57]4[CH2:35][CH2:31][CH2:44][N:70]5[CH2:42][CH2:29][CH2:33][C:52](=[C:65]45)[CH:47]=[C:59]23)[CH:40]=[CH:39]1)(=[O:76])=[O:77])[O:84][C:63]([CH2:38][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:73] |
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