| Properties | Image |
|---|
| MNX_ID | MNXM151256 |
 |
| reference | chebi:76112 |
| formula | C70H88N26O39P6 |
| global charge | 0 |
| mol weight | 2103.461 |
| InChIKey | RFJUIPOSTLYNSM-CAICXCIRSA-N |
| InChI | InChI=1S/C70H88N26O39P6/c1-29-11-90(68(102)87-65(29)99)47-6-34(131-138(109,110)120-17-42-36(8-49(126-42)92-13-31(3)67(101)89-70(92)104)133-140(113,114)122-20-45-37(9-51(129-45)95-27-85-55-59(73)77-23-81-63(55)95)134-136(105,106)117-15-40-32(98)4-46(124-40)93-25-83-53-57(71)75-21-79-61(53)93)41(125-47)16-119-139(111,112)132-35-7-48(91-12-30(2)66(100)88-69(91)103)127-43(35)18-121-141(115,116)135-38-10-52(96-28-86-56-60(74)78-24-82-64(56)96)128-44(38)19-118-137(107,108)130-33-5-50(123-39(33)14-97)94-26-84-54-58(72)76-22-80-62(54)94/h11-13,21-28,32-52,97-98H,4-10,14-20H2,1-3H3,(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H2,71,75,79)(H2,72,76,80)(H2,73,77,81)(H2,74,78,82)(H,87,99,102)(H,88,100,103)(H,89,101,104)/t32-,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+/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=NC5=C(N)N=CN=C54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](N4C=C(C)C(=O)NC4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=NC5=C(N)N=CN=C54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](N4C=NC5=C(N)N=CN=C54)O[C@@H]3CO)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C70H88N26O39P6/c1-29-11-90(68(102)87-65(29)99)47-6-34(131-138(109,110)120-17-42-36(8-49(126-42)92-13-31(3)67(101)89-70(92)104)133-140(113,114)122-20-45-37(9-51(129-45)95-27-85-55-59(73)77-23-81-63(55)95)134-136(105,106)117-15-40-32(98)4-46(124-40)93-25-83-53-57(71)75-21-79-61(53)93)41(125-47)16-119-139(111,112)132-35-7-48(91-12-30(2)66(100)88-69(91)103)127-43(35)18-121-141(115,116)135-38-10-52(96-28-86-56-60(74)78-24-82-64(56)96)128-44(38)19-118-137(107,108)130-33-5-50(123-39(33)14-97)94-26-84-54-58(72)76-22-80-62(54)94/h11-13,21-28,32-52,97-98H,4-10,14-20H2,1-3H3,(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H2,71,75,79)(H2,72,76,80)(H2,73,77,81)(H2,74,78,82)(H,87,99,102)(H,88,100,103)(H,89,101,104)/t32-,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:29]1=[CH:11][N:90]([C@H:47]2[CH2:6][C@H:34]([O:131][P:138]([OH:109])(=[O:110])[O:120][CH2:17][C@@H:42]3[C@@H:36]([O:133][P:140]([OH:113])(=[O:114])[O:122][CH2:20][C@@H:45]4[C@@H:37]([O:134][P:136]([OH:105])(=[O:106])[O:117][CH2:15][C@@H:40]5[C@@H:32]([OH:98])[CH2:4][C@H:46]([N:93]6[CH:25]=[N:83][C:53]7=[C:57]([NH2:71])[N:75]=[CH:21][N:79]=[C:61]76)[O:124]5)[CH2:9][C@H:51]([N:95]5[CH:27]=[N:85][C:55]6=[C:59]([NH2:73])[N:77]=[CH:23][N:81]=[C:63]65)[O:129]4)[CH2:8][C@H:49]([N:92]4[CH:13]=[C:31]([CH3:3])[C:67]([OH:101])=[N:89][C:70]4=[O:104])[O:126]3)[C@@H:41]([CH2:16][O:119][P:139]([OH:111])(=[O:112])[O:132][C@H:35]3[CH2:7][C@H:48]([N:91]4[CH:12]=[C:30]([CH3:2])[C:66]([OH:100])=[N:88][C:69]4=[O:103])[O:127][C@@H:43]3[CH2:18][O:121][P:141]([OH:115])(=[O:116])[O:135][C@H:38]3[CH2:10][C@H:52]([N:96]4[CH:28]=[N:86][C:56]5=[C:60]([NH2:74])[N:78]=[CH:24][N:82]=[C:64]54)[O:128][C@@H:44]3[CH2:19][O:118][P:137]([OH:107])(=[O:108])[O:130][C@H:33]3[CH2:5][C@H:50]([N:94]4[CH:26]=[N:84][C:54]5=[C:58]([NH2:72])[N:76]=[CH:22][N:80]=[C:62]54)[O:123][C@@H:39]3[CH2:14][OH:97])[O:125]2)[C:68](=[O:102])[N:87]=[C:65]1[OH:99] |
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