| Properties | Image |
|---|
| MNX_ID | MNXM155601 |
 |
| reference | chebi:75597 |
| formula | C80H105N16O54P7 |
| global charge | 0 |
| mol weight | 2371.596 |
| InChIKey | SESMVOSHGGZZQF-KRUJRXCESA-N |
| InChI | InChI=1S/C80H105N16O54P7/c1-33-17-89(73(107)81-65(33)99)57-9-41(98)50(137-57)26-129-151(115,116)145-43-11-59(91-19-35(3)67(101)83-75(91)109)139-52(43)28-131-153(119,120)147-45-13-61(93-21-37(5)69(103)85-77(93)111)141-54(45)30-133-155(123,124)149-47-15-63(95-23-39(7)71(105)87-79(95)113)143-56(47)32-135-157(127,128)150-48-16-64(96-24-40(8)72(106)88-80(96)114)142-55(48)31-134-156(125,126)148-46-14-62(94-22-38(6)70(104)86-78(94)112)140-53(46)29-132-154(121,122)146-44-12-60(92-20-36(4)68(102)84-76(92)110)138-51(44)27-130-152(117,118)144-42-10-58(136-49(42)25-97)90-18-34(2)66(100)82-74(90)108/h17-24,41-64,97-98H,9-16,25-32H2,1-8H3,(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,81,99,107)(H,82,100,108)(H,83,101,109)(H,84,102,110)(H,85,103,111)(H,86,104,112)(H,87,105,113)(H,88,106,114)/t41-,42-,43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+/m0/s1 |
| SMILES | CC1=CN([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3O)[C@@H](CO)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C80H105N16O54P7/c1-33-17-89(73(107)81-65(33)99)57-9-41(98)50(137-57)26-129-151(115,116)145-43-11-59(91-19-35(3)67(101)83-75(91)109)139-52(43)28-131-153(119,120)147-45-13-61(93-21-37(5)69(103)85-77(93)111)141-54(45)30-133-155(123,124)149-47-15-63(95-23-39(7)71(105)87-79(95)113)143-56(47)32-135-157(127,128)150-48-16-64(96-24-40(8)72(106)88-80(96)114)142-55(48)31-134-156(125,126)148-46-14-62(94-22-38(6)70(104)86-78(94)112)140-53(46)29-132-154(121,122)146-44-12-60(92-20-36(4)68(102)84-76(92)110)138-51(44)27-130-152(117,118)144-42-10-58(136-49(42)25-97)90-18-34(2)66(100)82-74(90)108/h17-24,41-64,97-98H,9-16,25-32H2,1-8H3,(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,81,99,107)(H,82,100,108)(H,83,101,109)(H,84,102,110)(H,85,103,111)(H,86,104,112)(H,87,105,113)(H,88,106,114)/t41-,42-,43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:33]1=[CH:17][N:89]([C@H:57]2[CH2:9][C@H:41]([OH:98])[C@@H:50]([CH2:26][O:129][P:151]([OH:115])(=[O:116])[O:145][C@H:43]3[CH2:11][C@H:59]([N:91]4[CH:19]=[C:35]([CH3:3])[C:67]([OH:101])=[N:83][C:75]4=[O:109])[O:139][C@@H:52]3[CH2:28][O:131][P:153]([OH:119])(=[O:120])[O:147][C@H:45]3[CH2:13][C@H:61]([N:93]4[CH:21]=[C:37]([CH3:5])[C:69]([OH:103])=[N:85][C:77]4=[O:111])[O:141][C@@H:54]3[CH2:30][O:133][P:155]([OH:123])(=[O:124])[O:149][C@H:47]3[CH2:15][C@H:63]([N:95]4[CH:23]=[C:39]([CH3:7])[C:71]([OH:105])=[N:87][C:79]4=[O:113])[O:143][C@@H:56]3[CH2:32][O:135][P:157]([OH:127])(=[O:128])[O:150][C@H:48]3[CH2:16][C@H:64]([N:96]4[CH:24]=[C:40]([CH3:8])[C:72]([OH:106])=[N:88][C:80]4=[O:114])[O:142][C@@H:55]3[CH2:31][O:134][P:156]([OH:125])(=[O:126])[O:148][C@H:46]3[CH2:14][C@H:62]([N:94]4[CH:22]=[C:38]([CH3:6])[C:70]([OH:104])=[N:86][C:78]4=[O:112])[O:140][C@@H:53]3[CH2:29][O:132][P:154]([OH:121])(=[O:122])[O:146][C@H:44]3[CH2:12][C@H:60]([N:92]4[CH:20]=[C:36]([CH3:4])[C:68]([OH:102])=[N:84][C:76]4=[O:110])[O:138][C@@H:51]3[CH2:27][O:130][P:152]([OH:117])(=[O:118])[O:144][C@H:42]3[CH2:10][C@H:58]([N:90]4[CH:18]=[C:34]([CH3:2])[C:66]([OH:100])=[N:82][C:74]4=[O:108])[O:136][C@@H:49]3[CH2:25][OH:97])[O:137]2)[C:73](=[O:107])[N:81]=[C:65]1[OH:99] |
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