| Properties | Image |
|---|
| MNX_ID | MNXM1371446 |
 |
| reference | biggM:unagamu |
| formula | C71H113N2O18P2 |
| global charge | -3 |
| mol weight | 1344.629 |
| InChIKey | IGGGNUSEBUZFTR-UHFFFAOYSA-K |
| InChI | InChI=1S/C71H116N2O18P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-86-92(82,83)91-93(84,85)90-71-63(73-60(14)76)65(78)67(61(47-74)87-71)88-70-62(72-59(13)75)64(77)66(79)68(89-70)69(80)81/h25,27,29,31,33,35,37,39,41,43,45,61-68,70-71,74,77-79H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)(H,84,85)/p-3 |
| SMILES | CC(=O)NC1C(OC2C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(NC(C)=O)C2O)OC(C(=O)[O-])C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C71H116N2O18P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-86-92(82,83)91-93(84,85)90-71-63(73-60(14)76)65(78)67(61(47-74)87-71)88-70-62(72-59(13)75)64(77)66(79)68(89-70)69(80)81/h25,27,29,31,33,35,37,39,41,43,45,61-68,70-71,74,77-79H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)(H,84,85)/b49-27?,50-29?,51-31?,52-33?,53-35?,54-37?,55-39?,56-41?,57-43?,58-45?/t61?,62?,63?,64?,65?,66?,67?,68?,70?,71? |
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| SMILES (mnx) | [CH3:1][C:48]([CH3:2])=[CH:25][CH2:15][CH2:26][C:49]([CH3:3])=[CH:27][CH2:16][CH2:28][C:50]([CH3:4])=[CH:29][CH2:17][CH2:30][C:51]([CH3:5])=[CH:31][CH2:18][CH2:32][C:52]([CH3:6])=[CH:33][CH2:19][CH2:34][C:53]([CH3:7])=[CH:35][CH2:20][CH2:36][C:54]([CH3:8])=[CH:37][CH2:21][CH2:38][C:55]([CH3:9])=[CH:39][CH2:22][CH2:40][C:56]([CH3:10])=[CH:41][CH2:23][CH2:42][C:57]([CH3:11])=[CH:43][CH2:24][CH2:44][C:58]([CH3:12])=[CH:45][CH2:46][O:86][P:92]([OH:82])(=[O:83])[O:91][P:93]([OH:84])(=[O:85])[O:90][CH:71]1[CH:63]([N:73]=[C:60]([CH3:14])[OH:76])[CH:65]([OH:78])[CH:67]([O:88][CH:70]2[CH:62]([N:72]=[C:59]([CH3:13])[OH:75])[CH:64]([OH:77])[CH:66]([OH:79])[CH:68]([C:69](=[O:80])[OH:81])[O:89]2)[CH:61]([CH2:47][OH:74])[O:87]1 |
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