| Properties | Image |
|---|
| MNX_ID | MNXM155600 |
 |
| reference | chebi:75683 |
| formula | C60H79N12O40P5 |
| global charge | 0 |
| mol weight | 1763.206 |
| InChIKey | SPTYHKZRPFATHJ-HYZXJONISA-N |
| InChI | InChI=1S/C60H79N12O40P5/c1-25-13-67(55(81)61-49(25)75)43-7-31(74)38(103-43)20-97-113(87,88)109-33-9-45(69-15-27(3)51(77)63-57(69)83)105-40(33)22-99-115(91,92)111-35-11-47(71-17-29(5)53(79)65-59(71)85)107-42(35)24-101-117(95,96)112-36-12-48(72-18-30(6)54(80)66-60(72)86)106-41(36)23-100-116(93,94)110-34-10-46(70-16-28(4)52(78)64-58(70)84)104-39(34)21-98-114(89,90)108-32-8-44(102-37(32)19-73)68-14-26(2)50(76)62-56(68)82/h13-18,31-48,73-74H,7-12,19-24H2,1-6H3,(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,61,75,81)(H,62,76,82)(H,63,77,83)(H,64,78,84)(H,65,79,85)(H,66,80,86)/t31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+/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]3O)[C@@H](CO)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C60H79N12O40P5/c1-25-13-67(55(81)61-49(25)75)43-7-31(74)38(103-43)20-97-113(87,88)109-33-9-45(69-15-27(3)51(77)63-57(69)83)105-40(33)22-99-115(91,92)111-35-11-47(71-17-29(5)53(79)65-59(71)85)107-42(35)24-101-117(95,96)112-36-12-48(72-18-30(6)54(80)66-60(72)86)106-41(36)23-100-116(93,94)110-34-10-46(70-16-28(4)52(78)64-58(70)84)104-39(34)21-98-114(89,90)108-32-8-44(102-37(32)19-73)68-14-26(2)50(76)62-56(68)82/h13-18,31-48,73-74H,7-12,19-24H2,1-6H3,(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,61,75,81)(H,62,76,82)(H,63,77,83)(H,64,78,84)(H,65,79,85)(H,66,80,86)/t31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]1=[CH:13][N:67]([C@H:43]2[CH2:7][C@H:31]([OH:74])[C@@H:38]([CH2:20][O:97][P:113]([OH:87])(=[O:88])[O:109][C@H:33]3[CH2:9][C@H:45]([N:69]4[CH:15]=[C:27]([CH3:3])[C:51]([OH:77])=[N:63][C:57]4=[O:83])[O:105][C@@H:40]3[CH2:22][O:99][P:115]([OH:91])(=[O:92])[O:111][C@H:35]3[CH2:11][C@H:47]([N:71]4[CH:17]=[C:29]([CH3:5])[C:53]([OH:79])=[N:65][C:59]4=[O:85])[O:107][C@@H:42]3[CH2:24][O:101][P:117]([OH:95])(=[O:96])[O:112][C@H:36]3[CH2:12][C@H:48]([N:72]4[CH:18]=[C:30]([CH3:6])[C:54]([OH:80])=[N:66][C:60]4=[O:86])[O:106][C@@H:41]3[CH2:23][O:100][P:116]([OH:93])(=[O:94])[O:110][C@H:34]3[CH2:10][C@H:46]([N:70]4[CH:16]=[C:28]([CH3:4])[C:52]([OH:78])=[N:64][C:58]4=[O:84])[O:104][C@@H:39]3[CH2:21][O:98][P:114]([OH:89])(=[O:90])[O:108][C@H:32]3[CH2:8][C@H:44]([N:68]4[CH:14]=[C:26]([CH3:2])[C:50]([OH:76])=[N:62][C:56]4=[O:82])[O:102][C@@H:37]3[CH2:19][OH:73])[O:103]2)[C:55](=[O:81])[N:61]=[C:49]1[OH:75] |
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