| Properties | Image |
|---|
| MNX_ID | MNXM165106 |
 |
| reference | metacycM:CPD-19302 |
| formula | C82H138N2O34P5 |
| global charge | -5 |
| mol weight | 1850.856 |
| InChIKey | WAOFXEGPSUNZBC-ZKVXEVJHSA-I |
| InChI | InChI=1S/C82H143N2O34P5/c1-55(2)25-15-26-56(3)27-16-28-57(4)29-17-30-58(5)31-18-32-59(6)33-19-34-60(7)35-20-36-61(8)37-21-38-62(9)39-22-40-63(10)41-23-42-64(11)43-24-44-65(12)45-46-107-122(103,104)118-123(105,106)117-82-75(84-67(14)89)77(95)79(72(48-86)114-82)115-81-74(83-66(13)88)78(96)80(73(49-87)113-81)116-121(101,102)111-53-69(91)52-109-119(97,98)108-50-68(90)51-110-120(99,100)112-54-71(93)76(94)70(92)47-85/h25,27,29,31,33,35,37,39,41,43,45,68-82,85-87,90-96H,15-24,26,28,30,32,34,36,38,40,42,44,46-54H2,1-14H3,(H,83,88)(H,84,89)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)/p-5/b56-27+,57-29+,58-31-,59-33-,60-35-,61-37-,62-39-,63-41-,64-43-,65-45-/t68-,69+,70-,71+,72+,73+,74-,75+,76-,77+,78+,79?,80+,81-,82+/m0/s1 |
| SMILES | CC(=O)N[C@@H]1[C@H](OC2[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](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](OP(=O)([O-])OC[C@H](O)COP(=O)([O-])OC[C@H](O)COP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C82H143N2O34P5/c1-55(2)25-15-26-56(3)27-16-28-57(4)29-17-30-58(5)31-18-32-59(6)33-19-34-60(7)35-20-36-61(8)37-21-38-62(9)39-22-40-63(10)41-23-42-64(11)43-24-44-65(12)45-46-107-122(103,104)118-123(105,106)117-82-75(84-67(14)89)77(95)79(72(48-86)114-82)115-81-74(83-66(13)88)78(96)80(73(49-87)113-81)116-121(101,102)111-53-69(91)52-109-119(97,98)108-50-68(90)51-110-120(99,100)112-54-71(93)76(94)70(92)47-85/h25,27,29,31,33,35,37,39,41,43,45,68-82,85-87,90-96H,15-24,26,28,30,32,34,36,38,40,42,44,46-54H2,1-14H3,(H,83,88)(H,84,89)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)/b56-27+,57-29+,58-31-,59-33-,60-35-,61-37-,62-39-,63-41-,64-43-,65-45-/t68-,69+,70-,71+,72+,73+,74-,75+,76-,77+,78+,79?,80+,81-,82+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:55]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:56]([CH3:3])=[CH:27]/[CH2:16][CH2:28]/[C:57]([CH3:4])=[CH:29]/[CH2:17][CH2:30]/[C:58]([CH3:5])=[CH:31]\[CH2:18][CH2:32]/[C:59]([CH3:6])=[CH:33]\[CH2:19][CH2:34]/[C:60]([CH3:7])=[CH:35]\[CH2:20][CH2:36]/[C:61]([CH3:8])=[CH:37]\[CH2:21][CH2:38]/[C:62]([CH3:9])=[CH:39]\[CH2:22][CH2:40]/[C:63]([CH3:10])=[CH:41]\[CH2:23][CH2:42]/[C:64]([CH3:11])=[CH:43]\[CH2:24][CH2:44]/[C:65]([CH3:12])=[CH:45]\[CH2:46][O:107][P:122]([OH:103])(=[O:104])[O:118][P:123]([OH:105])(=[O:106])[O:117][C@@H:82]1[C@H:75]([N:84]=[C:67]([CH3:14])[OH:89])[C@@H:77]([OH:95])[CH:79]([O:115][C@H:81]2[C@@H:74]([N:83]=[C:66]([CH3:13])[OH:88])[C@@H:78]([OH:96])[C@H:80]([O:116][P:121]([OH:101])(=[O:102])[O:111][CH2:53][C@@H:69]([CH2:52][O:109][P:119]([OH:97])(=[O:98])[O:108][CH2:50][C@@H:68]([CH2:51][O:110][P:120]([OH:99])(=[O:100])[O:112][CH2:54][C@H:71]([C@H:76]([C@H:70]([CH2:47][OH:85])[OH:92])[OH:94])[OH:93])[OH:90])[OH:91])[C@@H:73]([CH2:49][OH:87])[O:113]2)[C@@H:72]([CH2:48][OH:86])[O:114]1 |
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