| Properties | Image |
|---|
| MNX_ID | MNXM41144 |
 |
| reference | chebi:62664 |
| formula | C66H113N3O59P2 |
| global charge | 0 |
| mol weight | 1954.54 |
| InChIKey | PMKIZDVRRZUMJC-IZYXMCMMSA-N |
| InChI | InChI=1S/C66H113N3O59P2/c1-14(77)69-29-39(90)31(82)19(6-72)111-57(29)122-54-43(94)35(86)23(10-76)115-62(54)120-51-25(12-109-61-53(42(93)34(85)22(9-75)114-61)123-59-45(96)41(92)33(84)21(8-74)113-59)118-60(46(97)52(51)121-58-44(95)40(91)32(83)20(7-73)112-58)119-50-18(124-66(64(100)101)2-15(78)30(81)47(125-66)16(79)4-70)3-65(63(98)99,126-48(50)17(80)5-71)110-13-26-49(127-129(102,103)104)38(89)28(68)55(117-26)108-11-24-36(87)37(88)27(67)56(116-24)128-130(105,106)107/h15-62,70-76,78-97H,2-13,67-68H2,1H3,(H,69,77)(H,98,99)(H,100,101)(H2,102,103,104)(H2,105,106,107)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60-,61-,62+,65-,66-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H](O[C@H]4[C@@H]([C@H](O)CO)O[C@@](OC[C@H]5O[C@@H](OC[C@H]6O[C@H](OP(=O)(O)O)[C@H](N)[C@@H](O)[C@@H]6O)[C@H](N)[C@@H](O)[C@@H]5OP(=O)(O)O)(C(=O)O)C[C@H]4O[C@]4(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O4)O[C@@H]3CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C66H113N3O59P2/c1-14(77)69-29-39(90)31(82)19(6-72)111-57(29)122-54-43(94)35(86)23(10-76)115-62(54)120-51-25(12-109-61-53(42(93)34(85)22(9-75)114-61)123-59-45(96)41(92)33(84)21(8-74)113-59)118-60(46(97)52(51)121-58-44(95)40(91)32(83)20(7-73)112-58)119-50-18(124-66(64(100)101)2-15(78)30(81)47(125-66)16(79)4-70)3-65(63(98)99,126-48(50)17(80)5-71)110-13-26-49(127-129(102,103)104)38(89)28(68)55(117-26)108-11-24-36(87)37(88)27(67)56(116-24)128-130(105,106)107/h15-62,70-76,78-97H,2-13,67-68H2,1H3,(H,69,77)(H,98,99)(H,100,101)(H2,102,103,104)(H2,105,106,107)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60-,61-,62+,65-,66-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14](=[N:69][C@@H:29]1[C@@H:39]([OH:90])[C@H:31]([OH:82])[C@@H:19]([CH2:6][OH:72])[O:111][C@@H:57]1[O:122][C@@H:54]1[C@@H:43]([OH:94])[C@H:35]([OH:86])[C@@H:23]([CH2:10][OH:76])[O:115][C@H:62]1[O:120][C@@H:51]1[C@@H:25]([CH2:12][O:109][C@H:61]2[C@H:53]([O:123][C@@H:59]3[C@H:45]([OH:96])[C@@H:41]([OH:92])[C@H:33]([OH:84])[C@@H:21]([CH2:8][OH:74])[O:113]3)[C@@H:42]([OH:93])[C@H:34]([OH:85])[C@@H:22]([CH2:9][OH:75])[O:114]2)[O:118][C@H:60]([O:119][C@@H:50]2[C@H:18]([O:124][C@:66]3([C:64](=[O:100])[OH:101])[CH2:2][C@@H:15]([OH:78])[C@@H:30]([OH:81])[C@@H:47]([C@@H:16]([CH2:4][OH:70])[OH:79])[O:125]3)[CH2:3][C@@:65]([C:63](=[O:98])[OH:99])([O:110][CH2:13][C@@H:26]3[C@@H:49]([O:127][P:129]([OH:102])([OH:103])=[O:104])[C@H:38]([OH:89])[C@@H:28]([NH2:68])[C@H:55]([O:108][CH2:11][C@@H:24]4[C@@H:36]([OH:87])[C@H:37]([OH:88])[C@@H:27]([NH2:67])[C@@H:56]([O:128][P:130]([OH:105])([OH:106])=[O:107])[O:116]4)[O:117]3)[O:126][C@@H:48]2[C@@H:17]([CH2:5][OH:71])[OH:80])[C@H:46]([OH:97])[C@H:52]1[O:121][C@H:58]1[C@H:44]([OH:95])[C@@H:40]([OH:91])[C@H:32]([OH:83])[C@@H:20]([CH2:7][OH:73])[O:112]1)[OH:77] |
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