| Properties | Image |
|---|
| MNX_ID | MNXM1132647 |
 |
| reference | metacycM:CPD-23930 |
| formula | C81H133NO25P2 |
| global charge | -2 |
| mol weight | 1582.885 |
| InChIKey | WSDOEJSAVAGWPP-KVMRMXEDSA-L |
| InChI | InChI=1S/C81H135NO25P2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)46-47-98-108(94,95)107-109(96,97)106-78-66(82-63(15)85)76(69(88)64(48-83)101-78)104-80-74(93)72(91)75(65(49-84)102-80)103-81-77(71(90)68(87)62(14)100-81)105-79-73(92)70(89)67(86)61(13)99-79/h26,28,30,32,34,36,38,40,42,44,46,61-62,64-81,83-84,86-93H,16-25,27,29,31,33,35,37,39,41,43,45,47-49H2,1-15H3,(H,82,85)(H,94,95)(H,96,97)/p-2/b51-28+,52-30+,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-,60-46-/t61-,62-,64+,65+,66+,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80+,81-/m0/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]1O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C81H135NO25P2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)46-47-98-108(94,95)107-109(96,97)106-78-66(82-63(15)85)76(69(88)64(48-83)101-78)104-80-74(93)72(91)75(65(49-84)102-80)103-81-77(71(90)68(87)62(14)100-81)105-79-73(92)70(89)67(86)61(13)99-79/h26,28,30,32,34,36,38,40,42,44,46,61-62,64-81,83-84,86-93H,16-25,27,29,31,33,35,37,39,41,43,45,47-49H2,1-15H3,(H,82,85)(H,94,95)(H,96,97)/b51-28+,52-30+,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-,60-46-/t61-,62-,64+,65+,66+,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80+,81-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:50]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:51]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:52]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:53]([CH3:5])=[CH:32]\[CH2:19][CH2:33]/[C:54]([CH3:6])=[CH:34]\[CH2:20][CH2:35]/[C:55]([CH3:7])=[CH:36]\[CH2:21][CH2:37]/[C:56]([CH3:8])=[CH:38]\[CH2:22][CH2:39]/[C:57]([CH3:9])=[CH:40]\[CH2:23][CH2:41]/[C:58]([CH3:10])=[CH:42]\[CH2:24][CH2:43]/[C:59]([CH3:11])=[CH:44]\[CH2:25][CH2:45]/[C:60]([CH3:12])=[CH:46]\[CH2:47][O:98][P:108]([OH:94])(=[O:95])[O:107][P:109]([OH:96])(=[O:97])[O:106][C@@H:78]1[C@H:66]([N:82]=[C:63]([CH3:15])[OH:85])[C@@H:76]([O:104][C@@H:80]2[C@H:74]([OH:93])[C@@H:72]([OH:91])[C@H:75]([O:103][C@H:81]3[C@H:77]([O:105][C@H:79]4[C@H:73]([OH:92])[C@H:70]([OH:89])[C@@H:67]([OH:86])[C@H:61]([CH3:13])[O:99]4)[C@H:71]([OH:90])[C@@H:68]([OH:87])[C@H:62]([CH3:14])[O:100]3)[C@@H:65]([CH2:49][OH:84])[O:102]2)[C@@H:69]([OH:88])[C@@H:64]([CH2:48][OH:83])[O:101]1 |
|