| Properties | Image |
|---|
| MNX_ID | MNXM1132754 |
 |
| reference | metacycM:CPD-24128 |
| formula | C79H130O26P2 |
| global charge | -2 |
| mol weight | 1557.831 |
| InChIKey | HUTWADGESGXAME-QHOYVLGGSA-L |
| InChI | InChI=1S/C79H132O26P2/c1-49(2)24-14-25-50(3)26-15-27-51(4)28-16-29-52(5)30-17-31-53(6)32-18-33-54(7)34-19-35-55(8)36-20-37-56(9)38-21-39-57(10)40-22-41-58(11)42-23-43-59(12)44-45-97-106(92,93)105-107(94,95)104-79-73(91)75(66(84)62(47-81)100-79)103-77-72(90)69(87)74(60(13)98-77)102-78-71(89)68(86)65(83)63(101-78)48-96-76-70(88)67(85)64(82)61(46-80)99-76/h24,26,28,30,32,34,36,38,40,42,44,60-91H,14-23,25,27,29,31,33,35,37,39,41,43,45-48H2,1-13H3,(H,92,93)(H,94,95)/p-2/b50-26+,51-28+,52-30-,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-/t60-,61+,62+,63+,64-,65+,66-,67-,68-,69-,70+,71+,72+,73+,74-,75-,76-,77-,78+,79+/m0/s1 |
| SMILES | CC(C)=CCC/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\COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C79H132O26P2/c1-49(2)24-14-25-50(3)26-15-27-51(4)28-16-29-52(5)30-17-31-53(6)32-18-33-54(7)34-19-35-55(8)36-20-37-56(9)38-21-39-57(10)40-22-41-58(11)42-23-43-59(12)44-45-97-106(92,93)105-107(94,95)104-79-73(91)75(66(84)62(47-81)100-79)103-77-72(90)69(87)74(60(13)98-77)102-78-71(89)68(86)65(83)63(101-78)48-96-76-70(88)67(85)64(82)61(46-80)99-76/h24,26,28,30,32,34,36,38,40,42,44,60-91H,14-23,25,27,29,31,33,35,37,39,41,43,45-48H2,1-13H3,(H,92,93)(H,94,95)/b50-26+,51-28+,52-30-,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-/t60-,61+,62+,63+,64-,65+,66-,67-,68-,69-,70+,71+,72+,73+,74-,75-,76-,77-,78+,79+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:49]([CH3:2])=[CH:24][CH2:14][CH2:25]/[C:50]([CH3:3])=[CH:26]/[CH2:15][CH2:27]/[C:51]([CH3:4])=[CH:28]/[CH2:16][CH2:29]/[C:52]([CH3:5])=[CH:30]\[CH2:17][CH2:31]/[C:53]([CH3:6])=[CH:32]\[CH2:18][CH2:33]/[C:54]([CH3:7])=[CH:34]\[CH2:19][CH2:35]/[C:55]([CH3:8])=[CH:36]\[CH2:20][CH2:37]/[C:56]([CH3:9])=[CH:38]\[CH2:21][CH2:39]/[C:57]([CH3:10])=[CH:40]\[CH2:22][CH2:41]/[C:58]([CH3:11])=[CH:42]\[CH2:23][CH2:43]/[C:59]([CH3:12])=[CH:44]\[CH2:45][O:97][P:106]([OH:92])(=[O:93])[O:105][P:107]([OH:94])(=[O:95])[O:104][C@@H:79]1[C@H:73]([OH:91])[C@@H:75]([O:103][C@H:77]2[C@H:72]([OH:90])[C@H:69]([OH:87])[C@@H:74]([O:102][C@@H:78]3[C@H:71]([OH:89])[C@@H:68]([OH:86])[C@H:65]([OH:83])[C@@H:63]([CH2:48][O:96][C@@H:76]4[C@H:70]([OH:88])[C@@H:67]([OH:85])[C@@H:64]([OH:82])[C@@H:61]([CH2:46][OH:80])[O:99]4)[O:101]3)[C@H:60]([CH3:13])[O:98]2)[C@@H:66]([OH:84])[C@@H:62]([CH2:47][OH:81])[O:100]1 |
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