| Properties | Image |
|---|
| MNX_ID | MNXM1132743 |
 |
| reference | metacycM:CPD-24107 |
| formula | C89H146N2O31P2 |
| global charge | -2 |
| mol weight | 1802.078 |
| InChIKey | PYVRZYFAQIGCFZ-KKYFIQCHSA-L |
| InChI | InChI=1S/C89H148N2O31P2/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-111-123(107,108)122-124(109,110)121-86-71(91-65(15)97)83(74(100)67(49-93)114-86)119-88-79(105)77(103)81(68(50-94)116-88)117-87-78(104)76(102)82(69(51-95)115-87)118-89-80(106)84(72(98)63(13)112-89)120-85-70(90-64(14)96)75(101)73(99)66(48-92)113-85/h26,28,30,32,34,36,38,40,42,44,46,63,66-89,92-95,98-106H,16-25,27,29,31,33,35,37,39,41,43,45,47-51H2,1-15H3,(H,90,96)(H,91,97)(H,107,108)(H,109,110)/p-2/b53-28+,54-30+,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-,62-46-/t63-,66+,67+,68+,69+,70+,71+,72-,73-,74-,75+,76+,77+,78+,79+,80+,81-,82+,83+,84+,85-,86+,87+,88-,89-/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H]5NC(C)=O)O[C@@H]4CO)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C89H148N2O31P2/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-111-123(107,108)122-124(109,110)121-86-71(91-65(15)97)83(74(100)67(49-93)114-86)119-88-79(105)77(103)81(68(50-94)116-88)117-87-78(104)76(102)82(69(51-95)115-87)118-89-80(106)84(72(98)63(13)112-89)120-85-70(90-64(14)96)75(101)73(99)66(48-92)113-85/h26,28,30,32,34,36,38,40,42,44,46,63,66-89,92-95,98-106H,16-25,27,29,31,33,35,37,39,41,43,45,47-51H2,1-15H3,(H,90,96)(H,91,97)(H,107,108)(H,109,110)/b53-28+,54-30+,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-,62-46-/t63-,66+,67+,68+,69+,70+,71+,72-,73-,74-,75+,76+,77+,78+,79+,80+,81-,82+,83+,84+,85-,86+,87+,88-,89-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:52]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:53]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:54]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:55]([CH3:5])=[CH:32]\[CH2:19][CH2:33]/[C:56]([CH3:6])=[CH:34]\[CH2:20][CH2:35]/[C:57]([CH3:7])=[CH:36]\[CH2:21][CH2:37]/[C:58]([CH3:8])=[CH:38]\[CH2:22][CH2:39]/[C:59]([CH3:9])=[CH:40]\[CH2:23][CH2:41]/[C:60]([CH3:10])=[CH:42]\[CH2:24][CH2:43]/[C:61]([CH3:11])=[CH:44]\[CH2:25][CH2:45]/[C:62]([CH3:12])=[CH:46]\[CH2:47][O:111][P:123]([OH:107])(=[O:108])[O:122][P:124]([OH:109])(=[O:110])[O:121][C@@H:86]1[C@H:71]([N:91]=[C:65]([CH3:15])[OH:97])[C@@H:83]([O:119][C@H:88]2[C@H:79]([OH:105])[C@@H:77]([OH:103])[C@@H:81]([O:117][C@@H:87]3[C@H:78]([OH:104])[C@@H:76]([OH:102])[C@H:82]([O:118][C@H:89]4[C@H:80]([OH:106])[C@H:84]([O:120][C@H:85]5[C@H:70]([N:90]=[C:64]([CH3:14])[OH:96])[C@@H:75]([OH:101])[C@@H:73]([OH:99])[C@@H:66]([CH2:48][OH:92])[O:113]5)[C@@H:72]([OH:98])[C@H:63]([CH3:13])[O:112]4)[C@@H:69]([CH2:51][OH:95])[O:115]3)[C@@H:68]([CH2:50][OH:94])[O:116]2)[C@@H:74]([OH:100])[C@@H:67]([CH2:49][OH:93])[O:114]1 |
|