| Properties | Image |
|---|
| MNX_ID | MNXM1132693 |
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| reference | metacycM:CPD-24030 |
| formula | C87H143NO32P2 |
| global charge | -2 |
| mol weight | 1777.024 |
| InChIKey | GQDBESWTTLXSQX-KHDFYYRJSA-L |
| InChI | InChI=1S/C87H145NO32P2/c1-51(2)24-14-25-52(3)26-15-27-53(4)28-16-29-54(5)30-17-31-55(6)32-18-33-56(7)34-19-35-57(8)36-20-37-58(9)38-21-39-59(10)40-22-41-60(11)42-23-43-61(12)44-45-110-121(105,106)120-122(107,108)119-83-68(88-62(13)93)80(73(98)67(115-83)50-109-84-78(103)74(99)69(94)63(46-89)111-84)116-86-82(77(102)72(97)65(48-91)113-86)118-87-81(76(101)71(96)66(49-92)114-87)117-85-79(104)75(100)70(95)64(47-90)112-85/h24,26,28,30,32,34,36,38,40,42,44,63-87,89-92,94-104H,14-23,25,27,29,31,33,35,37,39,41,43,45-50H2,1-13H3,(H,88,93)(H,105,106)(H,107,108)/p-2/b52-26+,53-28+,54-30-,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74+,75+,76+,77+,78-,79+,80-,81+,82+,83-,84+,85-,86+,87-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[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)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C87H145NO32P2/c1-51(2)24-14-25-52(3)26-15-27-53(4)28-16-29-54(5)30-17-31-55(6)32-18-33-56(7)34-19-35-57(8)36-20-37-58(9)38-21-39-59(10)40-22-41-60(11)42-23-43-61(12)44-45-110-121(105,106)120-122(107,108)119-83-68(88-62(13)93)80(73(98)67(115-83)50-109-84-78(103)74(99)69(94)63(46-89)111-84)116-86-82(77(102)72(97)65(48-91)113-86)118-87-81(76(101)71(96)66(49-92)114-87)117-85-79(104)75(100)70(95)64(47-90)112-85/h24,26,28,30,32,34,36,38,40,42,44,63-87,89-92,94-104H,14-23,25,27,29,31,33,35,37,39,41,43,45-50H2,1-13H3,(H,88,93)(H,105,106)(H,107,108)/b52-26+,53-28+,54-30-,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74+,75+,76+,77+,78-,79+,80-,81+,82+,83-,84+,85-,86+,87-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:51]([CH3:2])=[CH:24][CH2:14][CH2:25]/[C:52]([CH3:3])=[CH:26]/[CH2:15][CH2:27]/[C:53]([CH3:4])=[CH:28]/[CH2:16][CH2:29]/[C:54]([CH3:5])=[CH:30]\[CH2:17][CH2:31]/[C:55]([CH3:6])=[CH:32]\[CH2:18][CH2:33]/[C:56]([CH3:7])=[CH:34]\[CH2:19][CH2:35]/[C:57]([CH3:8])=[CH:36]\[CH2:20][CH2:37]/[C:58]([CH3:9])=[CH:38]\[CH2:21][CH2:39]/[C:59]([CH3:10])=[CH:40]\[CH2:22][CH2:41]/[C:60]([CH3:11])=[CH:42]\[CH2:23][CH2:43]/[C:61]([CH3:12])=[CH:44]\[CH2:45][O:110][P:121]([OH:105])(=[O:106])[O:120][P:122]([OH:107])(=[O:108])[O:119][C@@H:83]1[C@H:68]([N:88]=[C:62]([CH3:13])[OH:93])[C@@H:80]([O:116][C@H:86]2[C@@H:82]([O:118][C@@H:87]3[C@@H:81]([O:117][C@@H:85]4[C@@H:79]([OH:104])[C@@H:75]([OH:100])[C@H:70]([OH:95])[C@@H:64]([CH2:47][OH:90])[O:112]4)[C@@H:76]([OH:101])[C@H:71]([OH:96])[C@@H:66]([CH2:49][OH:92])[O:114]3)[C@@H:77]([OH:102])[C@H:72]([OH:97])[C@@H:65]([CH2:48][OH:91])[O:113]2)[C@H:73]([OH:98])[C@@H:67]([CH2:50][O:109][C@@H:84]2[C@H:78]([OH:103])[C@@H:74]([OH:99])[C@H:69]([OH:94])[C@@H:63]([CH2:46][OH:89])[O:111]2)[O:115]1 |
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