| Properties | Image |
|---|
| MNX_ID | MNXM1132605 |
 |
| reference | metacycM:CPD-23874 |
| formula | C83H136N2O27P2 |
| global charge | -2 |
| mol weight | 1655.936 |
| InChIKey | IPBBZJQLXKDETD-SHYWYDANSA-L |
| InChI | InChI=1S/C83H138N2O27P2/c1-51(2)25-15-26-52(3)27-16-28-53(4)29-17-30-54(5)31-18-32-55(6)33-19-34-56(7)35-20-36-57(8)37-21-38-58(9)39-22-40-59(10)41-23-42-60(11)43-24-44-61(12)45-46-103-113(99,100)112-114(101,102)111-81-68(84-62(13)90)72(94)77(66(49-88)106-81)108-80-69(85-63(14)91)79(71(93)65(48-87)104-80)110-83-76(98)74(96)78(67(50-89)107-83)109-82-75(97)73(95)70(92)64(47-86)105-82/h25,27,29,31,33,35,37,39,41,43,45,64-83,86-89,92-98H,15-24,26,28,30,32,34,36,38,40,42,44,46-50H2,1-14H3,(H,84,90)(H,85,91)(H,99,100)(H,101,102)/p-2/b52-27-,53-29-,54-31-,55-33-,56-35-,57-37-,58-39-,59-41-,60-43-,61-45-/t64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,74-,75+,76+,77-,78-,79-,80+,81-,82+,83-/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](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C83H138N2O27P2/c1-51(2)25-15-26-52(3)27-16-28-53(4)29-17-30-54(5)31-18-32-55(6)33-19-34-56(7)35-20-36-57(8)37-21-38-58(9)39-22-40-59(10)41-23-42-60(11)43-24-44-61(12)45-46-103-113(99,100)112-114(101,102)111-81-68(84-62(13)90)72(94)77(66(49-88)106-81)108-80-69(85-63(14)91)79(71(93)65(48-87)104-80)110-83-76(98)74(96)78(67(50-89)107-83)109-82-75(97)73(95)70(92)64(47-86)105-82/h25,27,29,31,33,35,37,39,41,43,45,64-83,86-89,92-98H,15-24,26,28,30,32,34,36,38,40,42,44,46-50H2,1-14H3,(H,84,90)(H,85,91)(H,99,100)(H,101,102)/b52-27-,53-29-,54-31-,55-33-,56-35-,57-37-,58-39-,59-41-,60-43-,61-45-/t64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,74-,75+,76+,77-,78-,79-,80+,81-,82+,83-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:51]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:52]([CH3:3])=[CH:27]\[CH2:16][CH2:28]/[C:53]([CH3:4])=[CH:29]\[CH2:17][CH2:30]/[C:54]([CH3:5])=[CH:31]\[CH2:18][CH2:32]/[C:55]([CH3:6])=[CH:33]\[CH2:19][CH2:34]/[C:56]([CH3:7])=[CH:35]\[CH2:20][CH2:36]/[C:57]([CH3:8])=[CH:37]\[CH2:21][CH2:38]/[C:58]([CH3:9])=[CH:39]\[CH2:22][CH2:40]/[C:59]([CH3:10])=[CH:41]\[CH2:23][CH2:42]/[C:60]([CH3:11])=[CH:43]\[CH2:24][CH2:44]/[C:61]([CH3:12])=[CH:45]\[CH2:46][O:103][P:113]([OH:99])(=[O:100])[O:112][P:114]([OH:101])(=[O:102])[O:111][C@@H:81]1[C@H:68]([N:84]=[C:62]([CH3:13])[OH:90])[C@@H:72]([OH:94])[C@H:77]([O:108][C@H:80]2[C@H:69]([N:85]=[C:63]([CH3:14])[OH:91])[C@@H:79]([O:110][C@@H:83]3[C@@H:76]([OH:98])[C@@H:74]([OH:96])[C@H:78]([O:109][C@H:82]4[C@@H:75]([OH:97])[C@@H:73]([OH:95])[C@H:70]([OH:92])[C@@H:64]([CH2:47][OH:86])[O:105]4)[C@@H:67]([CH2:50][OH:89])[O:107]3)[C@H:71]([OH:93])[C@@H:65]([CH2:48][OH:87])[O:104]2)[C@@H:66]([CH2:49][OH:88])[O:106]1 |
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